data_2lxt_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 2lxt _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 64.0 t -104.65 118.87 52.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.8 p -95.37 160.85 14.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.798 0.332 . . . . 0.0 111.443 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.84 88.88 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.47 -48.6 74.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.974 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 60.2 tp -55.42 -47.78 75.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.468 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.0 mtp180 -64.38 -40.03 95.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.755 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.4 m -56.54 -40.75 75.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.417 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -64.53 -38.56 91.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.078 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 24.5 mt -65.09 -46.92 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.525 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -63.74 -43.55 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -58.89 -47.59 84.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.046 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.612 ' NZ ' HD23 ' C' ' 141' ' ' LEU . 12.9 pttp -64.37 -34.85 79.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 177.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -42.83 87.13 Favored 'General case' 0 N--CA 1.461 0.11 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.66 -47.65 87.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -55.26 -37.36 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.21 -38.64 74.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.732 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.424 ' O ' HG21 ' B' ' 853' ' ' VAL . 37.5 mt -91.18 -43.15 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.097 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.15 94.06 37.36 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.15 -41.49 21.9 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.582 2.188 . . . . 0.0 113.115 -175.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -147.41 94.93 4.4 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 121.554 0.693 . . . . 0.0 111.449 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.72 142.54 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.997 2.464 . . . . 0.0 111.122 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.14 161.5 67.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 119.28 -0.391 . . . . 0.0 110.111 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.405 ' HA ' HD11 ' A' ' 620' ' ' LEU . 71.3 Cg_exo -48.11 -34.77 24.45 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.646 2.23 . . . . 0.0 113.958 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.0 -26.95 36.08 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 -177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 625' ' ' MET . 3.6 mt -59.77 -38.41 81.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.61 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 13.36 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.038 0.447 . . . . 0.0 111.213 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -95.66 149.84 21.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.392 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -57.02 -37.83 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.492 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.606 ' HD2' ' CZ ' ' B' ' 852' ' ' PHE . 14.3 ptp180 -59.98 -38.34 82.29 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.567 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.6 tpt -65.52 -44.07 88.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.33 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.35 -40.76 95.46 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.75 -39.16 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.935 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.08 -46.55 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.197 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 625' ' ' MET . 3.9 t -61.82 -36.88 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.259 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.29 89.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.026 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.84 -46.58 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.934 174.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.29 95.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.053 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -64.55 -48.98 73.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -65.13 -46.68 79.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.619 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 639' ' ' MET . 70.9 t -59.33 -40.91 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.454 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.8 -39.98 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.886 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -48.66 71.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.59 -39.0 89.62 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.788 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -63.0 -50.43 70.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.944 -178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -63.63 -40.94 98.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.948 0.404 . . . . 0.0 110.469 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.808 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 12.4 m -94.51 -22.46 18.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -172.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.69 -63.27 1.19 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 643' ' ' ALA . 9.8 t30 75.24 -21.47 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.803 0.689 . . . . 0.0 111.495 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 643' ' ' ALA . 1.7 m -144.53 150.54 37.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -177.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -65.18 -43.54 91.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 111.353 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.59 -45.14 89.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.48 -37.1 86.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.976 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.5 -50.64 71.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.684 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.692 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 76.1 t80 -66.33 -44.35 83.57 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -57.71 -42.99 84.89 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.228 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.95 -44.4 89.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 110.027 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.68 -40.79 88.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.861 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.35 93.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 111.13 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.612 ' OE1' HD23 ' C' ' 128' ' ' LEU . 31.0 tt0 -65.45 -39.92 92.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.212 0.529 . . . . 0.0 110.498 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.555 ' HZ1' ' HB3' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -64.57 -42.63 95.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.894 -176.035 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.4 pt -64.6 -38.58 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.646 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 55.9 t80 -64.84 -40.21 94.81 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.392 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.351 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.578 HG12 ' CD1' ' B' ' 845' ' ' LEU . 88.9 mt -65.15 -46.22 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.438 0.637 . . . . 0.0 110.206 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -52.38 -43.48 64.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.405 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.646 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 28.8 mtpp -63.72 -42.28 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.556 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.645 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 53.4 mt -62.56 -41.54 98.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.317 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.17 -44.6 83.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.795 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.33 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.525 ' HB3' ' HG ' ' B' ' 854' ' ' LEU . 38.9 mmtm -64.43 -38.14 89.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.525 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -66.95 -23.32 65.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.906 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 N--CA 1.47 0.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.578 -179.281 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.578 ' CD1' HG12 ' A' ' 660' ' ' ILE . 3.3 mp -92.06 154.85 43.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.584 0.231 . . . . 0.0 110.787 -175.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.17 155.2 66.48 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.397 2.065 . . . . 0.0 110.912 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.1 m -54.81 -42.31 71.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.51 -40.94 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -172.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.93 -45.36 97.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.459 ' HA ' ' HE3' ' B' ' 850' ' ' MET . 13.6 mmt -65.84 -40.32 91.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.5 -47.84 75.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.737 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . 0.606 ' CZ ' ' HD2' ' A' ' 624' ' ' ARG . 6.2 t80 -65.74 -50.24 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.666 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 611' ' ' ILE . 4.9 p -62.09 -39.92 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.414 -168.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . 0.525 ' HG ' ' HB3' ' A' ' 667' ' ' LYS . 3.6 mm? -64.99 -36.0 82.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.341 175.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.78 -18.73 63.14 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.074 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.857 0.361 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -57.15 -41.12 78.55 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.732 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.669 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 3.1 pt -63.42 -40.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.736 -175.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.612 HD23 ' OE1' ' A' ' 655' ' ' GLU . 2.2 mm? -56.79 -38.9 73.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.013 0.435 . . . . 0.0 110.716 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 129' ' ' SER . . . . . 0.413 ' HA ' HH21 ' C' ' 135' ' ' ARG . 8.2 t -58.85 -17.31 22.66 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -133.96 45.56 2.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.761 0.791 . . . . 0.0 109.933 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 1.8 mmp_? -111.2 103.96 55.57 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.409 175.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.412 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 51.7 Cg_exo . . . . . 0 C--N 1.343 0.268 0 C-N-CA 123.46 2.774 . . . . 0.0 113.21 -175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.401 ' HB3' ' CB ' ' C' ' 131' ' ' ARG . 80.2 t80 . . . . . 0 C--O 1.223 -0.292 0 CA-C-O 120.667 0.27 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . 0.413 HH21 ' HA ' ' C' ' 129' ' ' SER . 17.6 mmt85 -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.112 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 33.7 mtmm -59.87 -55.0 39.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.245 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 33.8 pt -67.9 -33.59 62.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.075 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.39 -50.13 72.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.67 0.272 . . . . 0.0 110.394 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -66.74 -50.67 62.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.816 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.64 -51.23 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.692 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 48.0 tp -64.96 -42.11 94.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.898 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 81.1 p -76.06 -9.55 58.71 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 122.307 -0.246 . . . . 0.0 111.492 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -176.681 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 45.0 t60 . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.6 133.79 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 51.0 p -100.23 169.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 111.458 -173.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.49 94.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . 0.556 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 18.5 t70 -60.13 -50.29 74.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 41.9 tp -57.38 -44.74 84.7 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.63 ' O ' HG21 ' A' ' 604' ' ' VAL . 0.1 OUTLIER -57.16 -44.74 83.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.228 178.269 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 29.0 m -61.65 -41.97 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.279 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.556 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 43.1 m-70 -64.9 -38.83 92.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.152 0.501 . . . . 0.0 110.314 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.19 -43.14 87.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.63 HG21 ' O ' ' A' ' 600' ' ' ARG . 4.6 t -55.67 -39.84 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.875 0.369 . . . . 0.0 110.563 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -56.98 -39.22 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -62.37 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.61 82.03 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.54 -47.55 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.463 173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -54.71 -39.89 68.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.21 0.529 . . . . 0.0 110.688 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.25 83.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.09 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 43.5 mt -94.42 -41.57 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.95 85.81 45.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.7 -38.26 41.31 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.732 2.288 . . . . 0.0 113.094 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.3 t -143.26 87.25 8.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.908 0.385 . . . . 0.0 111.592 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.06 145.77 19.7 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.395 2.064 . . . . 0.0 111.665 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -69.5 156.15 92.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.746 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -50.59 -44.46 40.07 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.233 . . . . 0.0 111.914 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.64 -21.43 55.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.075 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.87 -38.67 64.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 110.674 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.49 -33.52 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -96.31 14.3 24.72 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.84 0.352 . . . . 0.0 111.297 -177.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 10.3 t70 -96.34 143.17 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . 0.495 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 31.4 mmt180 -56.69 -36.19 69.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.568 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.534 HH21 ' HB2' ' B' ' 852' ' ' PHE . 23.8 mmm180 -60.81 -46.04 92.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 110.505 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 16.4 tpt -65.95 -41.69 90.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.984 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.495 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 52.3 mt-10 -59.58 -40.57 87.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.122 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -59.0 -38.82 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.73 -45.99 90.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.31 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.4 -38.77 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.862 0.363 . . . . 0.0 110.229 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.79 92.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.456 0.646 . . . . 0.0 110.0 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.797 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.188 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -59.47 -50.1 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.525 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.558 ' HZ3' ' HB3' ' A' ' 634' ' ' LYS . 0.6 OUTLIER -66.03 -42.07 90.09 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.32 -177.546 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.62 -44.91 97.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 111.147 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -62.1 -40.19 95.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.009 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.68 93.67 Favored Glycine 0 CA--C 1.507 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.437 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.7 -40.03 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.153 0.501 . . . . 0.0 110.194 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.587 ' SD ' HD21 ' A' ' 653' ' ' LEU . 34.8 mtt -66.27 -49.74 66.11 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.248 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -60.71 -40.86 93.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.162 -172.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.81 -39.36 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.663 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.4 m -94.12 -23.53 17.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.662 -174.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -57.59 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.86 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.2 t30 57.12 16.94 3.2 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 14.8 m -154.33 149.5 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -64.99 -49.18 71.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.917 0.389 . . . . 0.0 111.004 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.24 -43.07 92.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.32 -39.15 89.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.263 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.04 -47.99 83.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.874 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.586 ' HH ' ' N ' ' C' ' 142' ' ' SER . 94.8 t80 -64.44 -40.57 95.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -64.41 -39.64 94.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.36 -38.28 90.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.629 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.587 HD21 ' SD ' ' A' ' 639' ' ' MET . 35.0 mt -55.36 -43.82 75.41 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.312 174.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.406 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -64.1 -39.41 93.99 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.138 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.722 ' OE1' HD22 ' C' ' 128' ' ' LEU . 14.6 tp10 -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.463 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.521 ' HG3' ' HE3' ' A' ' 639' ' ' MET . 35.2 mmtp -66.76 -46.47 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.421 -177.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.4 pt -63.54 -37.64 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.888 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -62.09 -42.2 98.97 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.655 0.264 . . . . 0.0 110.445 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.45 ' HD2' HG12 ' B' ' 844' ' ' ILE . 19.8 ttmm -55.95 -50.6 70.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.966 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.31 -51.76 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.883 -176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.15 -45.11 79.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.524 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 662' ' ' LYS . 0.0 OUTLIER -62.79 -44.71 95.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.533 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.13 -39.87 93.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.21 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.58 -40.25 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.714 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -64.23 -49.22 72.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.468 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -38.91 92.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.67 -44.69 96.18 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.401 0.28 . . . . 0.0 111.201 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -76.98 -27.28 54.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.175 0.512 . . . . 0.0 110.094 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.414 176.83 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . 0.45 HG12 ' HD2' ' A' ' 659' ' ' LYS . 1.2 tp . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.56 ' HB2' ' SD ' ' B' ' 850' ' ' MET . 1.1 mp -75.58 137.54 70.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.343 -165.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.56 -178.17 4.09 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.97 2.446 . . . . 0.0 112.735 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.9 m -55.5 -40.67 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.55 -49.52 67.48 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.19 -44.2 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.111 0.482 . . . . 0.0 110.912 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.56 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -62.27 -41.98 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.922 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -58.93 -37.85 77.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.918 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . 0.534 ' HB2' HH21 ' A' ' 624' ' ' ARG . 47.7 t80 -61.7 -50.59 71.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.188 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.72 -39.02 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.42 -37.27 85.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -58.18 -43.79 87.68 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.367 -172.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.17 0.509 . . . . 0.0 110.101 177.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.14 -39.67 72.64 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.171 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.454 HG12 HD21 ' C' ' 128' ' ' LEU . 4.0 pt -63.22 -41.7 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.419 -173.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.722 HD22 ' OE1' ' A' ' 655' ' ' GLU . 2.9 mm? -59.18 -41.13 87.73 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 88.0 p -56.57 -35.08 67.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.746 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -144.75 68.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.388 0.613 . . . . 0.0 109.9 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.54 ' CZ ' ' HB2' ' C' ' 134' ' ' TYR . 4.8 ttp180 -113.6 120.47 39.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo . . . . . 0 CA--C 1.53 0.281 0 C-N-CA 123.114 2.542 . . . . 0.0 113.173 179.796 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.54 ' HB2' ' CZ ' ' C' ' 131' ' ' ARG . 82.3 t80 . . . . . 0 C--O 1.22 -0.468 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . 0.424 ' NH2' HD21 ' C' ' 138' ' ' LEU . 6.2 tpm_? -56.41 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.02 -56.03 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.916 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.2 pt -66.35 -33.89 66.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.133 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.541 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 10.4 tp -60.55 -41.0 93.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.863 0.84 . . . . 0.0 110.432 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.3 -52.82 56.64 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.117 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.67 -49.52 62.37 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.531 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 21.4 tp -60.81 -36.39 78.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.397 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.586 ' N ' ' HH ' ' A' ' 650' ' ' TYR . 25.6 p -72.28 -0.02 11.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.235 0.321 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.586 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.2 t60 . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.752 0.311 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.415 HG11 HD22 ' A' ' 599' ' ' LEU . 84.9 t -116.24 111.93 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.514 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 32.1 p -96.26 166.46 11.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.959 -172.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.409 ' H ' ' NE2' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -57.3 -40.02 76.97 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 179.631 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.35 -46.85 88.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.415 HD22 HG11 ' A' ' 595' ' ' VAL . 28.6 tp -57.73 -43.61 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 596' ' ' THR . 45.8 mtt180 -65.48 -49.11 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.338 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 27.7 m -57.51 -38.69 75.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.144 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -61.84 -43.54 98.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.189 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.409 HD23 ' HD3' ' A' ' 606' ' ' LYS . 16.8 mt -65.78 -40.54 92.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.991 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.5 -41.72 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 176.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -62.66 -40.88 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.095 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.609 ' HZ3' HD12 ' C' ' 141' ' ' LEU . 28.1 mtpp -63.84 -38.68 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.996 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -42.76 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.67 -49.23 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.225 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -56.92 -36.89 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.128 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.26 -39.02 74.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.885 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 21.9 mt -92.44 -38.36 10.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.92 86.58 42.83 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.21 -37.74 89.84 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.79 2.327 . . . . 0.0 113.872 -171.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.6 t -161.81 94.32 1.32 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 121.293 0.568 . . . . 0.0 111.852 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -84.14 164.67 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.892 2.394 . . . . 0.0 112.31 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.2 155.15 54.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -47.39 -43.81 26.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.21 2.607 . . . . 0.0 113.491 -175.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.17 -30.97 71.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.475 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.03 64.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.77 -31.5 71.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.653 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -91.66 6.11 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.928 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.67 151.56 19.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 111.364 -172.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -39.63 94.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.611 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -64.18 -42.54 96.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.042 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -66.08 -39.77 90.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.186 0.517 . . . . 0.0 110.177 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.68 -40.51 72.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.665 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -60.08 -36.34 77.16 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.715 0.293 . . . . 0.0 110.767 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.09 -43.23 99.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.72 -37.38 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.139 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.307 0.575 . . . . 0.0 109.601 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -61.35 -43.48 98.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.144 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.06 0.457 . . . . 0.0 110.329 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.57 -46.84 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.181 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -64.04 -44.48 92.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.811 0.339 . . . . 0.0 110.989 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 639' ' ' MET . 69.0 t -59.16 -41.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.81 -39.02 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.12 92.67 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.877 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.73 -38.3 88.79 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.965 0.412 . . . . 0.0 110.89 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.9 mmt -64.34 -51.68 62.16 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.039 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.61 -38.46 87.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.846 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.73 -39.36 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.958 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.3 p -95.38 -27.96 15.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.96 -67.85 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 643' ' ' ALA . 9.3 t30 71.92 -9.25 1.0 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.038 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 26.6 m -153.45 154.33 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.632 -0.667 . . . . 0.0 109.643 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.5 -45.84 88.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.623 0.249 . . . . 0.0 110.948 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -64.14 -40.23 95.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.058 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -64.3 -40.31 95.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.435 . . . . 0.0 110.798 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.333 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.707 ' HH ' ' N ' ' C' ' 142' ' ' SER . 56.4 t80 -64.9 -40.94 95.87 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.048 0.452 . . . . 0.0 110.557 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . 0.407 ' O ' ' HG3' ' A' ' 655' ' ' GLU . 79.8 t60 -62.0 -42.85 99.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.761 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.31 -46.13 84.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 110.735 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.05 -39.68 90.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.578 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.94 74.03 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.923 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 651' ' ' HIS . 38.5 mt-10 -65.69 -42.5 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.932 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.36 -46.83 75.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.5 pt -63.75 -37.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.637 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -63.85 -40.82 97.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.51 ' HD3' HG12 ' B' ' 844' ' ' ILE . 20.9 ttmm -56.09 -50.97 69.54 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.113 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.466 HD13 HD11 ' B' ' 845' ' ' LEU . 44.2 mt -65.72 -49.58 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.292 0.567 . . . . 0.0 110.401 -177.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -53.93 -48.95 69.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.054 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -64.53 -43.96 92.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.97 -48.2 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.952 -177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.67 -40.58 92.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.8 -48.69 68.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.727 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -38.52 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.885 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.89 -40.03 72.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -76.78 -33.07 58.07 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.453 -176.294 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . 0.51 HG12 ' HD3' ' A' ' 659' ' ' LYS . 1.1 mt . . . . . 0 C--O 1.233 0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.466 HD11 HD13 ' A' ' 660' ' ' ILE . 4.0 mp -93.66 148.45 35.43 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.494 -175.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.48 159.02 29.16 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.817 2.344 . . . . 0.0 112.239 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.8 t -55.25 -47.11 75.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.208 0.317 . . . . 0.0 111.056 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.82 -45.6 74.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.905 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.34 -46.03 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.379 0.609 . . . . 0.0 109.914 -178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.438 ' HA ' ' HE1' ' B' ' 850' ' ' MET . 6.3 mmt -65.82 -40.09 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.312 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.56 -38.01 83.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.2 -49.49 75.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.406 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . 0.405 HG11 ' O ' ' B' ' 850' ' ' MET . 11.4 p -65.17 -39.0 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.834 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . 0.433 HD23 ' O ' ' B' ' 850' ' ' MET . 3.3 mm? -55.83 -37.16 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.681 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' B' ' 855' ' ' LYS . 6.0 mmtp -98.44 19.31 14.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.099 0.475 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -55.13 -38.65 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.816 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 4.5 pt -57.14 -38.79 62.88 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 121.201 -0.2 . . . . 0.0 110.737 -175.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.456 HD22 HG12 ' C' ' 127' ' ' ILE . 2.3 mm? -62.2 -41.27 98.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 -177.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 50.6 m -57.81 -23.89 54.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.819 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.08 55.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.239 0.543 . . . . 0.0 109.913 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.527 ' HB3' ' HB3' ' C' ' 134' ' ' TYR . 7.2 tpt180 -113.6 113.15 48.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.639 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 35.3 Cg_exo . . . . . 0 C--N 1.348 0.535 0 C-N-CA 123.583 2.856 . . . . 0.0 114.04 -174.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.527 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 19.4 t80 . . . . . 0 C--O 1.225 -0.206 0 CA-C-O 120.521 0.2 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -63.62 -41.78 98.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.756 0.312 . . . . 0.0 110.736 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.76 -44.05 81.37 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.298 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 37.4 pt -76.72 -36.37 26.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.588 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.06 -48.62 75.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.605 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -65.18 -50.75 64.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.26 -44.74 82.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.401 0.619 . . . . 0.0 112.289 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.67 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 18.1 tp -62.25 -39.24 92.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.554 -172.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.707 ' N ' ' HH ' ' A' ' 650' ' ' TYR . 4.9 p -71.55 -1.02 12.0 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 CA--C 1.537 0.481 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -171.454 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 34.6 t60 . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.443 0.164 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.7 t -94.0 122.18 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 38.0 p -105.56 170.4 7.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.46 -40.51 78.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 0.0 110.27 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.82 -50.02 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.99 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.633 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.435 ' HE ' ' CD ' ' A' ' 636' ' ' GLU . 58.2 ttt180 -64.47 -50.2 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 57.3 m -59.12 -38.38 79.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.342 . . . . 0.0 111.245 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.09 -46.33 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.583 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.9 t -62.14 -40.67 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-O 121.153 0.501 . . . . 0.0 110.139 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -58.62 -40.6 83.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.422 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -60.82 -37.87 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.174 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -46.13 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.43 -41.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -54.01 -37.81 64.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.246 0.546 . . . . 0.0 110.633 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.35 69.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.406 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.51 ' O ' HG23 ' B' ' 853' ' ' VAL . 49.4 mt -98.56 -44.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.979 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.85 88.0 47.4 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.79 -33.53 64.79 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 122.891 2.394 . . . . 0.0 113.512 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.7 t -156.82 95.32 2.22 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.337 0.589 . . . . 0.0 111.483 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.95 155.92 20.2 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.075 2.517 . . . . 0.0 111.742 174.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.519 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.5 p-10 -92.54 163.25 27.06 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 1.0 OUTLIER -43.15 -41.47 9.6 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.368 2.712 . . . . 0.0 114.001 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.13 65.31 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.859 -0.526 . . . . 0.0 111.719 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.58 -42.91 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 110.472 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.24 -39.98 76.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.825 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 617' ' ' PRO . 13.7 pttm -94.01 15.51 16.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.914 0.388 . . . . 0.0 111.489 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.67 143.63 27.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.923 0.392 . . . . 0.0 110.263 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.83 -37.41 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.621 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -61.07 -39.87 91.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.407 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.544 ' O ' HG22 ' A' ' 629' ' ' VAL . 17.2 tpt -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.936 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -59.5 -40.93 88.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -62.98 -38.61 91.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.969 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.89 -49.64 75.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 625' ' ' MET . 2.9 t -60.09 -36.96 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -64.24 -40.56 96.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.645 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.84 94.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 0.0 109.829 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 636' ' ' GLU . 12.6 tmtt? -62.27 -49.58 75.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.261 -177.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -64.19 -39.55 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.165 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.0 t -58.35 -40.32 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-O 120.772 0.32 . . . . 0.0 110.464 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 9.3 tt0 -54.5 -43.3 71.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.92 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.28 -49.73 55.33 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.783 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -38.95 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.05 0.452 . . . . 0.0 110.565 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.47 ' HE1' ' HA ' ' A' ' 636' ' ' GLU . 24.2 ttp -64.09 -47.42 80.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.761 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.29 -40.6 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.053 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -68.22 -46.02 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.111 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.3 m -83.88 -30.21 26.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -169.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.15 -71.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.4 t30 54.62 19.46 2.46 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 36.9 m -159.78 158.34 30.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -66.2 -51.26 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.949 0.404 . . . . 0.0 111.302 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.051 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.28 -38.41 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.038 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.11 -50.69 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.44 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' C' ' 142' ' ' SER . 52.5 t80 -67.94 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.096 0.474 . . . . 0.0 110.724 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -56.01 -41.86 75.56 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.484 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.45 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.124 -176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.469 ' O ' HG12 ' A' ' 657' ' ' ILE . 72.9 mt -63.92 -41.66 97.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.42 80.9 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.129 0.49 . . . . 0.0 110.484 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 31.8 tt0 -62.32 -49.78 74.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.66 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 660' ' ' ILE . 2.7 tpmt? -65.7 -47.73 74.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.625 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 653' ' ' LEU . 44.1 pt -64.32 -37.57 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.844 -175.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.18 -49.19 70.76 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.463 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.553 ' HB3' ' HZ3' ' A' ' 659' ' ' LYS . 0.3 OUTLIER -64.29 -36.92 85.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 656' ' ' LYS . 67.7 mt -62.41 -51.52 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.476 0.655 . . . . 0.0 109.308 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 8.0 tt0 -57.01 -45.67 82.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.86 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -61.64 -41.01 96.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.643 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -62.79 -43.72 98.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.003 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.29 -40.38 81.78 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.005 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 49.3 mt-10 -63.83 -50.32 69.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.875 0.369 . . . . 0.0 110.635 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -40.03 94.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.03 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -63.06 -40.59 98.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 110.649 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -72.57 -36.43 68.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.493 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.128 -174.144 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . 0.48 HD13 HG12 ' A' ' 660' ' ' ILE . 5.1 tp . . . . . 0 N--CA 1.447 -0.614 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.12 134.84 73.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 0.0 111.051 -163.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.93 -174.85 2.41 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.956 2.437 . . . . 0.0 112.897 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.1 m -56.39 -39.95 73.82 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -53.1 -51.74 60.89 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.96 -46.8 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 111.342 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.457 ' HA ' ' HE1' ' B' ' 850' ' ' MET . 29.5 mmt -64.18 -41.3 97.16 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -174.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.04 -38.04 89.61 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.15 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.1 -49.68 76.1 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.067 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 611' ' ' ILE . 8.0 p -65.61 -38.52 82.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.245 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . 0.415 HD21 ' O ' ' B' ' 850' ' ' MET . 3.4 mm? -62.12 -37.83 86.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.745 0.307 . . . . 0.0 110.68 175.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -70.71 -38.1 73.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.136 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -178.245 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 . . . . . 0 C--O 1.236 0.36 0 CA-C-O 121.229 0.538 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -55.82 -44.58 78.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.75 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -62.95 -40.63 89.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.504 -175.673 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' C' ' 134' ' ' TYR . 2.0 mm? -65.21 -44.71 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.12 0.486 . . . . 0.0 110.053 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.8 m -58.05 -36.09 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.253 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -116.39 48.16 1.31 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.606 0.717 . . . . 0.0 109.878 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 8.3 tpt180 -113.95 106.01 53.84 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.659 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.45 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 18.1 Cg_endo . . . . . 0 CA--C 1.529 0.234 0 C-N-CA 122.297 1.998 . . . . 0.0 112.166 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.57 ' CB ' ' HB3' ' C' ' 131' ' ' ARG . 57.8 t80 . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -58.11 -42.13 85.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.224 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 63.3 mttp -63.48 -55.88 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.198 0.523 . . . . 0.0 111.078 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.1 pt -70.43 -21.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.593 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' C' ' 134' ' ' TYR . 15.0 tp -62.15 -41.91 98.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 177.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -66.97 -48.91 67.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.187 169.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.5 -49.81 69.85 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.509 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 28.6 tp -60.54 -41.33 94.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -171.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.576 ' HB3' ' CE1' ' A' ' 650' ' ' TYR . 2.6 p -70.89 -35.24 72.23 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.881 -172.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 CA--C 1.536 0.421 0 O-C-N 123.55 0.531 . . . . 0.0 111.936 -174.841 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 33.8 m170 . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.8 t -97.21 120.54 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.709 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.0 p -101.2 172.17 7.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -60.19 -38.41 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.14 -48.57 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.369 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.28 -40.65 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.535 ' O ' HG21 ' A' ' 604' ' ' VAL . 70.8 mtp180 -63.96 -49.2 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.512 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 16.2 m -55.64 -41.57 73.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.649 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -65.35 -40.36 93.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.889 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.13 -49.89 68.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.535 HG21 ' O ' ' A' ' 600' ' ' ARG . 1.3 t -65.16 -43.68 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.867 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -60.0 -48.7 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.284 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -63.1 -35.26 79.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.01 -44.5 82.86 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.97 -48.17 87.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.272 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -55.19 -35.92 65.36 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.955 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -54.69 -38.02 66.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.484 HD11 ' CD1' ' B' ' 845' ' ' LEU . 40.9 mt -94.34 -39.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.543 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -117.83 89.77 34.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.94 -39.69 58.98 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.541 2.161 . . . . 0.0 112.552 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -150.62 80.25 6.93 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.94 145.55 50.65 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.229 1.952 . . . . 0.0 111.346 177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.417 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.3 p30 -83.19 155.35 66.94 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 5.0 Cg_endo -46.2 -43.82 20.51 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.235 2.623 . . . . 0.0 113.309 -176.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.64 -17.39 51.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 111.66 -175.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.89 -36.65 67.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.575 0.702 . . . . 0.0 110.116 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.36 -19.73 65.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.864 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 2.6 pptp? -97.51 7.58 46.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -97.11 144.94 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -64.55 -38.99 92.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.339 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -49.96 73.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.099 0.476 . . . . 0.0 110.344 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.2 tmt? -66.87 -40.76 87.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.23 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -39.37 70.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.757 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -55.68 -37.98 69.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 625' ' ' MET . 24.5 tp -59.71 -43.18 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.67 0.272 . . . . 0.0 110.385 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.14 -38.23 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.27 -42.91 92.75 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.141 0.496 . . . . 0.0 109.893 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -64.56 -40.78 96.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.903 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.54 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 5.5 tmmm? -65.14 -41.21 94.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.355 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 2.8 mmmp? -63.86 -44.06 94.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.394 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 34.2 t -55.78 -46.9 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.544 ' HA ' ' HE2' ' A' ' 639' ' ' MET . 17.9 tt0 -55.88 -41.28 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.43 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.47 57.87 Favored Glycine 0 C--N 1.328 0.121 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.906 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.0 -37.9 89.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.675 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.544 ' HE2' ' HA ' ' A' ' 636' ' ' GLU . 39.3 ttp -62.37 -46.58 88.02 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.978 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.483 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 6.6 m-85 -56.39 -35.4 67.69 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.64 -43.6 84.22 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.308 0.575 . . . . 0.0 110.877 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -90.2 -51.13 5.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.3 -171.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -51.08 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.094 0.557 . . . . 0.0 111.942 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 69.09 -17.55 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.3 m -133.75 158.31 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.931 -0.48 . . . . 0.0 110.001 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -66.21 -49.28 67.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.15 -45.33 88.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.184 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.33 -35.78 65.54 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.683 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -54.48 -52.16 62.77 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.462 0.574 . . . . 0.0 110.047 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.631 ' HE1' ' CD1' ' C' ' 138' ' ' LEU . 55.7 t80 -66.02 -44.32 85.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -58.14 -47.01 84.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.213 -175.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.77 -38.96 90.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.023 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.98 -44.57 88.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.047 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.82 97.03 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.181 0.515 . . . . 0.0 110.561 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.669 ' OE1' HD23 ' C' ' 128' ' ' LEU . 10.8 tp10 -62.61 -46.51 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.097 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.558 ' HB2' ' HZ2' ' A' ' 656' ' ' LYS . 2.9 ttmp? -65.67 -50.42 65.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.596 -175.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.6 pt -63.02 -37.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.76 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -65.21 -47.23 77.61 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.123 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -64.23 -40.58 96.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 111.352 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.594 ' CD1' HD13 ' B' ' 845' ' ' LEU . 18.6 mt -69.4 -48.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.292 0.568 . . . . 0.0 110.279 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -55.96 -40.62 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.429 ' O ' ' HD3' ' A' ' 662' ' ' LYS . 9.2 tmtt? -58.55 -40.59 83.45 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.79 -40.85 96.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.467 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.95 -41.77 98.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.038 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.67 -45.18 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.209 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -39.63 88.12 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -64.56 -40.75 96.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.261 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -77.4 -48.34 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.354 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.901 -171.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 21.4 mt . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.594 HD13 ' CD1' ' A' ' 660' ' ' ILE . 2.4 mt -78.33 138.76 59.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 111.098 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -78.46 173.22 14.07 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.87 2.38 . . . . 0.0 113.144 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 8.6 p -55.32 -43.27 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.11 -48.91 70.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.45 -39.65 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.082 0.467 . . . . 0.0 110.214 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.448 ' HA ' ' HE3' ' B' ' 850' ' ' MET . 26.0 mmt -64.34 -43.45 94.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.99 -40.04 83.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.41 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.28 -49.96 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.239 0.337 . . . . 0.0 111.688 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 611' ' ' ILE . 12.3 p -65.42 -39.55 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.591 -177.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.84 -38.6 91.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 110.843 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -77.22 -41.14 42.44 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.67 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.511 . . . . 0.0 110.937 -174.054 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 . . . . . 0 CA--C 1.531 0.229 0 CA-C-O 121.205 0.526 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.99 -39.79 75.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.908 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.635 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 7.6 pt -57.13 -39.12 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 117.6 0.182 . . . . 0.0 111.249 -170.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.669 HD23 ' OE1' ' A' ' 655' ' ' GLU . 2.8 mm? -55.29 -39.32 69.74 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.467 0.48 . . . . 0.0 110.702 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -56.0 -33.69 65.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.265 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -138.77 60.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.489 0.661 . . . . 0.0 109.558 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.635 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.7 103.72 55.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.481 -176.419 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo . . . . . 0 C--N 1.345 0.393 0 C-N-CA 123.866 3.044 . . . . 0.0 114.379 -172.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.56 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 75.8 t80 . . . . . 0 C--O 1.225 -0.199 0 CA-C-O 120.793 0.33 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' C' ' 135' ' ' ARG . 39.5 ttp180 -60.85 -44.48 96.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.584 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -56.24 -53.76 53.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.432 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.73 -32.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.631 ' CD1' ' HE1' ' A' ' 650' ' ' TYR . 8.6 tp -57.95 -46.03 85.71 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 110.689 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.39 -51.65 62.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.803 0.335 . . . . 0.0 111.878 176.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.71 -49.54 65.72 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.595 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 20.0 tp -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.265 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 75.1 p -77.16 -2.58 35.1 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.43 -174.485 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 24.8 t -80.07 134.89 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 173.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.7 p -99.26 163.05 12.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.703 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.55 -39.37 76.52 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.1 -46.04 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 46.9 tp -56.24 -43.55 78.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.43 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 604' ' ' VAL . 10.1 mtm180 -63.11 -46.22 88.33 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.6 t -55.53 -39.37 70.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.903 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -62.56 -44.53 96.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 0.0 109.986 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.405 HD11 HD11 ' A' ' 653' ' ' LEU . 20.4 mt -66.95 -40.72 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.627 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-O 121.165 0.507 . . . . 0.0 109.896 176.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -59.74 -42.0 92.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.511 ' HD3' HD12 ' C' ' 141' ' ' LEU . 98.3 mttt -59.64 -38.21 80.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.086 175.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -43.09 99.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 109.927 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.33 -47.93 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.986 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -54.51 -36.02 63.77 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.881 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.16 68.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.057 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 37.6 mt -94.39 -41.62 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.437 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.09 94.36 48.58 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.33 -40.82 13.74 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.421 2.081 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -149.5 98.66 3.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.4 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 2.5 Cg_endo -81.99 139.89 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.768 2.312 . . . . 0.0 111.948 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.479 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.1 p-10 -81.91 158.68 67.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.964 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.1 Cg_endo -45.65 -41.54 19.04 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.431 2.754 . . . . 0.0 113.866 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.7 45.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.15 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.572 0.701 . . . . 0.0 110.237 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.4 ' HG ' ' HB2' ' A' ' 615' ' ' PRO . 3.9 mt -67.23 -26.51 66.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.993 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -93.84 5.83 50.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.465 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 10.5 t0 -94.88 145.88 24.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.92 -38.19 84.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.198 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.465 ' HG2' ' CG ' ' A' ' 622' ' ' ASP . 12.8 ptt180 -55.58 -40.44 72.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.281 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.414 ' O ' HG22 ' A' ' 629' ' ' VAL . 15.7 tpt -65.95 -41.91 90.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.611 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.24 -41.38 88.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.985 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -56.98 -40.87 77.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.468 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.81 -46.56 84.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.642 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 625' ' ' MET . 2.5 t -64.18 -38.38 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 120.847 0.356 . . . . 0.0 110.236 177.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.15 96.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.908 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.61 97.6 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.039 0.447 . . . . 0.0 109.899 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.55 -44.91 89.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.757 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -60.99 -48.84 79.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 639' ' ' MET . 75.9 t -57.81 -39.76 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.504 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -54.46 -40.7 68.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.897 0.379 . . . . 0.0 110.031 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -42.78 96.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.5 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.72 -40.25 95.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.433 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.0 mmt -66.11 -47.53 73.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.538 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.78 -43.33 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.253 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.65 -47.86 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.65 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 22.4 t -88.06 -30.23 20.07 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -168.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.25 3.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.228 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 57.0 9.37 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.703 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 4.4 m -144.61 149.58 35.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -65.3 -49.97 67.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.885 0.374 . . . . 0.0 110.355 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.24 -42.69 93.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.09 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.669 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.02 -43.99 91.64 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.672 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.73 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 58.1 t80 -65.07 -41.48 95.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.365 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -59.61 -49.31 78.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.849 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.43 -43.29 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.406 ' O ' HG12 ' A' ' 657' ' ' ILE . 85.8 mt -66.57 -41.88 87.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.388 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.72 93.45 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.057 0.456 . . . . 0.0 110.211 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.744 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 33.8 tt0 -64.34 -43.64 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.877 177.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -65.59 -50.7 64.13 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.467 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.6 pt -64.87 -37.97 81.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.563 -176.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.541 ' O ' ' HG2' ' A' ' 662' ' ' LYS . 54.2 t80 -64.31 -50.63 67.09 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.656 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -56.18 -49.19 74.72 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.397 0.436 . . . . 0.0 111.607 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.565 HG22 HD12 ' B' ' 845' ' ' LEU . 29.4 mt -68.3 -46.48 80.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 -173.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 6.3 tp-100 -55.68 -43.7 76.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.029 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 658' ' ' TYR . 32.5 mmmt -61.94 -38.93 90.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.617 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.22 -42.97 99.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.188 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.66 -39.47 88.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.476 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 669' ' ' ARG . 81.7 mt-10 -61.65 -50.97 70.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.276 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -39.27 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -58.31 -45.48 87.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -73.67 -29.51 62.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.389 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 665' ' ' GLU . 69.4 mtt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.567 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.4 mt . . . . . 0 N--CA 1.462 0.172 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.565 HD12 HG22 ' A' ' 660' ' ' ILE . 4.1 mt -77.37 131.37 72.02 Favored Pre-proline 0 N--CA 1.453 -0.284 0 CA-C-O 120.734 0.302 . . . . 0.0 110.417 177.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.84 162.67 38.86 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.686 2.257 . . . . 0.0 112.963 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -54.57 -39.99 68.31 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -54.96 -44.19 74.13 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.26 -40.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.108 0.48 . . . . 0.0 110.173 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -40.04 79.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.505 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 8.8 m-20 -53.7 -38.37 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.846 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -60.17 -52.35 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.291 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.88 -38.89 76.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.732 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.607 0.241 . . . . 0.0 110.492 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -74.33 -46.87 38.07 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.343 0.592 . . . . 0.0 111.389 178.8 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.633 0.254 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.09 -40.21 80.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.505 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.2 pt -62.73 -39.98 86.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -41.0 89.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.7 t -57.0 -25.97 59.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.789 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -153.45 77.99 1.14 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.019 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 19.9 tpt180 -112.17 122.27 37.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.761 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 49.5 Cg_exo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 123.488 2.792 . . . . 0.0 113.354 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.744 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 21.9 m-85 . . . . . 0 C--O 1.211 -0.936 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -55.76 -40.11 72.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -64.39 -61.1 2.43 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.045 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 45.1 pt -76.03 -37.32 33.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.716 HD13 ' CE1' ' A' ' 650' ' ' TYR . 4.1 tp -53.3 -47.9 68.84 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.85 0.296 . . . . 0.0 110.504 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.0 -53.8 27.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.86 -51.09 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.73 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 57.5 tp -57.62 -39.11 76.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.388 -176.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.561 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 94.0 p -84.74 -6.63 59.36 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 122.059 -0.4 . . . . 0.0 111.864 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -170.754 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.848 0.356 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.3 t -120.59 99.58 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.506 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.9 p -102.56 168.69 9.12 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.839 -166.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -56.69 -39.31 73.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.784 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . 0.491 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 19.7 t70 -60.94 -50.34 73.81 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.02 -49.53 76.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.538 ' O ' HG22 ' A' ' 604' ' ' VAL . 77.4 mtp180 -59.32 -38.85 81.33 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.997 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.7 m -54.56 -38.65 66.91 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.046 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.491 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 52.1 m-70 -64.51 -42.91 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.25 0.547 . . . . 0.0 109.804 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.723 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 29.4 mt -66.94 -45.11 78.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.697 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.74 -40.71 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -59.83 -43.69 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.723 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 0.0 OUTLIER -59.76 -35.74 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -49.61 74.53 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.06 -49.13 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.651 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -55.42 -37.54 67.79 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.495 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.09 72.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.408 ' CD1' HD11 ' B' ' 845' ' ' LEU . 44.5 mt -95.52 -38.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.794 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.27 87.36 23.86 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -59.33 -41.28 60.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.619 2.213 . . . . 0.0 112.453 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.6 t -147.43 90.5 5.24 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.01 135.29 40.22 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.527 2.152 . . . . 0.0 111.729 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.42 164.82 31.17 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.15 -38.62 71.41 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.187 1.925 . . . . 0.0 113.18 -175.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -76.87 -21.25 55.25 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.201 -0.312 . . . . 0.0 111.561 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.98 60.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 109.945 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.45 -16.3 64.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.109 -175.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.433 ' C ' ' HD2' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -99.61 1.3 43.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.419 ' OD1' ' HG3' ' A' ' 624' ' ' ARG . 10.2 t70 -95.25 139.64 31.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.263 0.554 . . . . 0.0 110.736 -170.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -60.81 -38.91 87.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.917 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.419 ' HG3' ' OD1' ' A' ' 622' ' ' ASP . 55.4 mtt180 -66.07 -40.33 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -66.41 -42.51 87.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.84 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -57.31 -40.89 78.81 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.791 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -58.26 -38.7 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.334 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.69 -47.4 81.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.467 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.75 -37.6 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 121.117 0.484 . . . . 0.0 110.08 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.471 ' HA ' ' HD2' ' A' ' 633' ' ' LYS . . . -64.16 -39.22 93.54 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.597 0.713 . . . . 0.0 109.619 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.48 -38.91 91.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.044 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.57 84.16 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.471 ' HD2' ' HA ' ' A' ' 630' ' ' ALA . 12.0 mttm -61.75 -48.09 82.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.271 0.558 . . . . 0.0 110.428 177.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.68 -47.58 76.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.314 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.95 -41.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.02 -39.5 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.478 0.656 . . . . 0.0 109.819 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -62.56 -41.87 99.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.76 -0.734 . . . . 0.0 111.934 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.84 -39.47 77.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.087 0.47 . . . . 0.0 110.373 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 24.7 mmt -64.88 -52.84 54.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.614 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -66.23 -39.79 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.167 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.5 mt-10 -60.74 -39.34 88.32 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.787 0.327 . . . . 0.0 111.432 -176.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.0 p -95.59 -22.54 17.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.917 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.01 -69.05 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.94 0.98 1.32 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.174 0.59 . . . . 0.0 112.066 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.1 m -158.24 151.33 22.84 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -65.43 -42.15 92.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.15 -43.09 96.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.3 -37.42 87.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.973 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.72 -49.97 71.6 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.257 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.669 ' HH ' ' HA ' ' C' ' 138' ' ' LEU . 83.0 t80 -65.0 -43.58 92.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.785 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -55.9 -49.23 74.01 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.058 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.78 -40.8 95.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.594 ' O ' HG12 ' A' ' 657' ' ' ILE . 11.3 mt -63.65 -49.75 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.907 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.79 96.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.82 -51.1 63.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.323 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -68.15 -44.96 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.482 -175.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.594 HG12 ' O ' ' A' ' 653' ' ' LEU . 37.6 pt -59.75 -39.18 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.182 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -62.4 -40.17 95.64 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 117.864 0.302 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.57 -50.45 73.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.674 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.508 HG21 HD12 ' B' ' 845' ' ' LEU . 20.0 mt -69.6 -42.62 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.435 0.636 . . . . 0.0 110.231 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.394 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.38 -43.35 96.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.034 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.408 ' CD2' ' HG3' ' B' ' 850' ' ' MET . 47.4 mt -62.81 -39.71 95.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.834 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.47 -49.41 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.898 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -39.65 88.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.067 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.3 -41.86 99.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.444 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -74.32 -29.91 61.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.165 0.507 . . . . 0.0 109.842 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.771 178.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 C--O 1.232 0.174 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.508 HD12 HG21 ' A' ' 660' ' ' ILE . 2.6 mt -77.09 126.0 85.97 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 -173.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.52 175.07 11.07 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.811 2.341 . . . . 0.0 113.418 -174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.7 m -54.84 -40.19 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.84 -49.55 70.8 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.4 mm -65.06 -40.89 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.569 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -60.86 -43.27 98.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.506 176.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.403 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -60.54 -50.36 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.28 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.29 -38.74 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.269 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.65 -39.41 94.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.909 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.2 -30.01 68.99 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 110.721 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.443 176.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 121.34 0.591 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -55.16 -40.81 71.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.625 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.67 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 6.0 pt -59.93 -41.3 85.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.649 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.443 HD11 ' CE2' ' C' ' 134' ' ' TYR . 2.1 mm? -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.357 . . . . 0.0 110.464 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 16.5 m -60.8 -23.79 65.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.07 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -140.45 55.03 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.53 0.681 . . . . 0.0 109.83 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.67 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -114.83 100.78 53.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.891 -178.207 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 CA--C 1.529 0.265 0 C-N-CA 122.639 2.226 . . . . 0.0 113.262 -176.676 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.514 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 36.4 t80 . . . . . 0 C--O 1.225 -0.217 0 CA-C-O 120.494 0.188 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -59.97 -41.29 91.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' C' ' 136' ' ' LYS . 8.0 tmtm? -57.5 -56.33 23.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.27 -33.59 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.385 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.669 ' HA ' ' HH ' ' A' ' 650' ' ' TYR . 19.3 tp -64.4 -49.73 70.42 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.884 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -65.47 -50.07 66.7 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.88 -48.48 74.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.331 0.586 . . . . 0.0 111.795 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.529 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 34.8 tp -67.38 -37.04 82.53 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.611 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.517 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 16.3 p -63.87 2.11 0.55 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -169.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 CA--C 1.549 0.923 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 178.165 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.6 m80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.833 0.349 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 46.6 t -120.66 104.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.2 p -102.04 168.26 9.51 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.954 -167.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.478 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -55.53 -39.79 70.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.797 175.111 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -58.97 -49.35 78.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.91 -49.17 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.01 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' ' 604' ' ' VAL . 81.2 mtp180 -61.95 -43.04 99.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 47.7 m -58.63 -39.3 80.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 38.2 m170 -64.27 -40.06 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' A' ' 653' ' ' LEU . 24.5 mt -65.48 -46.87 78.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.389 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -59.57 -40.65 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 120.887 0.375 . . . . 0.0 110.65 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -57.65 -39.79 77.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.528 ' NZ ' ' HG ' ' C' ' 141' ' ' LEU . 54.0 mtpt -64.1 -38.64 91.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.789 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -46.99 80.75 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.51 -45.68 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.446 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -55.67 -38.64 69.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.03 72.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.46 0.648 . . . . 0.0 110.534 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.3 mt -89.5 -36.04 8.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.492 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.11 84.97 55.02 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.012 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.18 -41.9 15.17 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.171 1.914 . . . . 0.0 112.556 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 39.1 p -131.61 75.14 77.09 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.302 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -80.87 140.86 13.03 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.78 1.653 . . . . 0.0 111.783 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.2 168.04 15.43 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.97 -36.27 63.88 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.215 1.943 . . . . 0.0 113.164 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.7 56.07 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 122.195 -0.315 . . . . 0.0 111.238 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.76 -42.22 64.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.39 -30.07 70.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.007 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -95.62 11.96 31.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.59 0.233 . . . . 0.0 111.46 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.67 133.46 35.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -39.72 83.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.68 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.18 -40.62 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 110.12 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 2.0 tmt? -65.75 -39.98 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.851 176.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.72 -39.76 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.285 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -58.82 -39.11 80.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.421 ' HB3' ' O ' ' A' ' 625' ' ' MET . 41.4 tp -60.69 -42.14 96.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.057 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.53 -37.4 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.248 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.24 95.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 109.921 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.69 -40.02 91.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.016 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.69 88.94 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.248 0.546 . . . . 0.0 109.889 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 633' ' ' LYS . 13.5 tmtt? -59.25 -46.04 89.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.787 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -62.91 -49.04 76.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 78.0 t -57.24 -45.6 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.44 ' HG3' HG21 ' A' ' 604' ' ' VAL . 5.7 tm-20 -61.99 -39.61 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 109.806 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.09 -38.81 87.95 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.687 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.24 -37.93 81.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.482 0.658 . . . . 0.0 110.367 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 22.2 mmt -63.94 -49.02 74.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.959 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.97 -39.69 94.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 47.3 mt-10 -64.61 -40.5 95.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.178 0.513 . . . . 0.0 110.915 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 -29.58 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.876 -174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.33 -70.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.34 8.93 2.33 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.38 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.2 m -156.1 158.33 37.54 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -65.14 -49.79 68.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.739 0.304 . . . . 0.0 111.669 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.88 -43.32 96.41 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.567 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.13 -36.45 84.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.407 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.49 -50.44 73.05 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.46 ' HE2' ' CD1' ' C' ' 138' ' ' LEU . 55.9 t80 -65.88 -44.18 86.09 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.9 0.381 . . . . 0.0 110.417 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -61.82 -44.73 96.26 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.615 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.23 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.498 ' O ' HG12 ' A' ' 657' ' ' ILE . 14.0 mt -59.32 -49.28 78.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.17 96.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.098 0.475 . . . . 0.0 110.308 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.481 ' OE2' HD22 ' C' ' 128' ' ' LEU . 18.6 tp10 -59.98 -51.34 70.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.827 -177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 20.9 ttmt -68.26 -43.32 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.489 -176.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.3 pt -62.18 -39.34 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' C' ' 131' ' ' ARG . 6.6 t80 -60.47 -39.56 88.08 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.369 0.532 . . . . 0.0 111.192 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.486 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 0.8 OUTLIER -58.94 -50.92 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.882 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.513 HG21 HD12 ' B' ' 845' ' ' LEU . 23.8 mt -68.98 -44.37 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.459 0.647 . . . . 0.0 110.183 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -54.67 -40.93 69.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.145 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 110.092 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 16.3 tt0 -65.62 -38.73 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.787 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.472 HD23 ' SD ' ' B' ' 850' ' ' MET . 31.2 mt -56.55 -41.83 77.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.24 -45.87 89.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.1 -38.85 92.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.806 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -57.27 -49.06 77.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.66 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -73.52 -23.21 59.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 110.191 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.056 178.069 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 50.4 pt . . . . . 0 C--O 1.233 0.21 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.513 HD12 HG21 ' A' ' 660' ' ' ILE . 2.6 mt -79.07 122.16 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.523 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.65 173.87 10.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.567 2.178 . . . . 0.0 112.773 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 26.8 t -57.79 -41.47 82.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -49.02 71.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 46.0 mm -65.42 -41.28 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 110.741 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.519 ' O ' HG13 ' B' ' 853' ' ' VAL . 30.7 mmt -65.19 -38.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.468 -178.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.34 -37.76 62.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.942 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -57.44 -49.81 75.06 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.142 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . 0.519 HG13 ' O ' ' B' ' 850' ' ' MET . 9.2 p -66.45 -39.69 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.17 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . 0.409 HD23 ' O ' ' B' ' 850' ' ' MET . 4.0 mm? -55.92 -38.98 70.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 175.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' B' ' 855' ' ' LYS . 4.3 ttmp? -99.62 17.97 19.18 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.261 0.553 . . . . 0.0 110.497 -174.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 122.109 -0.37 . . . . 0.0 110.807 -178.224 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -56.47 -40.25 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.66 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.711 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.5 OUTLIER -65.62 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' C' ' 134' ' ' TYR . 2.2 mm? -66.88 -45.99 76.35 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.365 0.602 . . . . 0.0 110.186 -176.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 37.6 m -57.88 -34.53 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.129 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' C' ' 130' ' ' ARG . 4.7 tpm_? -131.44 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.711 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 12.3 tpt180 -112.97 119.08 43.48 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo . . . . . 0 C--O 1.236 0.396 0 C-N-CA 123.21 2.607 . . . . 0.0 113.557 -172.682 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.536 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 24.4 t80 . . . . . 0 C--O 1.225 -0.205 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -64.04 -41.95 97.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.167 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.84 -43.87 90.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.4 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . 0.642 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 29.3 pt -75.16 -40.96 44.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.668 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 14.3 tp -55.63 -47.92 75.81 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -63.72 -49.4 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.36 -42.08 93.17 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.413 0.625 . . . . 0.0 111.197 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.642 ' HB2' ' O ' ' C' ' 137' ' ' ILE . 12.8 tp -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.551 -171.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 2.2 p -68.47 -26.81 65.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.418 0.628 . . . . 0.0 111.542 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.316 -0.875 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.278 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 74.9 t -103.09 113.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.533 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 45.8 p -97.33 176.89 5.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -175.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -62.15 -38.94 90.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.65 -48.28 81.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.717 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.89 -40.73 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.46 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.583 ' O ' HG21 ' A' ' 604' ' ' VAL . 77.2 mtp180 -63.75 -50.53 68.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.471 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 41.7 t -55.66 -42.03 74.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.364 -177.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.459 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 42.1 m80 -65.53 -40.35 92.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.501 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.91 -46.89 76.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.927 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 600' ' ' ARG . 1.8 t -64.15 -40.52 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.108 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.29 -46.09 83.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 97.5 mttt -56.4 -39.26 72.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.943 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.5 95.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.945 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.33 -49.19 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 175.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 612' ' ' PHE . 16.5 mm100 -55.36 -37.31 67.32 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.333 0.587 . . . . 0.0 110.523 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.13 -39.73 79.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.006 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 31.8 mt -90.99 -36.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.243 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 609' ' ' GLN . 0.1 OUTLIER -126.7 102.85 25.07 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.399 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.25 -41.62 64.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.723 2.282 . . . . 0.0 112.869 -174.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.9 t -162.7 89.17 1.32 Allowed Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 121.287 0.565 . . . . 0.0 111.147 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.72 146.01 59.14 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.472 2.114 . . . . 0.0 111.904 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -86.01 161.58 49.34 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.032 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.45 -37.6 62.04 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 113.543 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.65 -21.46 44.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.0 -0.437 . . . . 0.0 110.994 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.72 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.437 0.637 . . . . 0.0 110.1 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.83 -22.41 66.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.284 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -99.17 10.81 40.7 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.88 143.37 26.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.671 0.272 . . . . 0.0 110.364 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.26 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.156 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -66.41 -41.35 89.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.452 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.8 tmt? -66.14 -38.92 89.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.002 176.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.96 -39.45 68.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.648 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -58.48 -38.32 77.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' ' 625' ' ' MET . 21.0 tp -63.5 -49.46 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.19 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -40.49 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.521 0.677 . . . . 0.0 110.861 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.17 82.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.232 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.69 -42.65 99.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.129 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.11 95.12 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.209 0.528 . . . . 0.0 110.108 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -62.58 -43.97 97.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.09 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.6 -42.83 95.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 111.297 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 639' ' ' MET . 54.7 t -59.15 -44.76 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.437 177.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.068 0.461 . . . . 0.0 109.981 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.06 95.94 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.115 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.46 -38.92 89.0 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 26.0 mmt -56.05 -45.17 79.33 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.628 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -55.76 -41.44 73.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.988 0.423 . . . . 0.0 111.02 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.55 -47.36 73.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 10.8 p -88.04 -53.21 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.13 -48.26 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.4 t30 72.41 -29.57 0.2 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.491 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 10.7 m -125.35 159.67 31.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.997 0.362 . . . . 0.0 110.71 -173.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 62.2 mtp180 -66.57 -51.16 59.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.46 -41.62 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 110.449 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.41 -35.76 81.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.293 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.489 ' HB3' ' O ' ' A' ' 646' ' ' ARG . 16.6 t80 -55.32 -47.72 75.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.328 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.719 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 39.1 t80 -67.24 -43.81 80.99 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.036 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -57.42 -44.78 84.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.743 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.58 -38.3 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.41 HD23 ' HE3' ' A' ' 639' ' ' MET . 97.9 mt -64.18 -42.37 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.716 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.32 90.79 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.091 0.472 . . . . 0.0 110.702 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.757 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 30.9 tt0 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.624 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -63.49 -49.39 73.74 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.976 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 33.7 pt -64.0 -38.53 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.635 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -59.88 -44.03 94.44 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 117.779 0.263 . . . . 0.0 111.046 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -55.93 -49.16 74.26 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 111.408 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.451 HD11 HD12 ' B' ' 845' ' ' LEU . 42.9 mt -65.6 -51.23 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.489 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -56.79 -40.85 76.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.021 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.39 -49.63 74.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -64.74 -40.12 94.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.963 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.25 -41.74 80.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.982 0.42 . . . . 0.0 110.43 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.81 -47.64 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -39.55 94.99 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.265 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -73.28 -31.26 63.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.157 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.704 -179.549 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.553 ' HB2' ' SD ' ' B' ' 850' ' ' MET . 0.4 OUTLIER -88.94 143.28 31.19 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.644 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.61 167.68 7.92 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.308 2.005 . . . . 0.0 112.199 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.3 t -54.5 -37.86 65.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.306 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -53.59 -46.76 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.473 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.99 -44.48 96.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.046 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.553 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -63.27 -43.28 98.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.5 178.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.87 -41.04 97.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.066 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.53 -45.92 85.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.921 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.78 -38.66 89.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.459 172.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' B' ' 855' ' ' LYS . 0.1 OUTLIER -68.87 -24.15 64.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -176.247 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.353 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 . . . . . 0 C--O 1.237 0.434 0 CA-C-O 121.286 0.565 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.79 -41.54 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 113.658 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.609 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 7.0 pt -59.1 -40.46 80.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.323 0.51 . . . . 0.0 110.842 -175.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.422 HD11 ' HH ' ' C' ' 134' ' ' TYR . 0.6 OUTLIER -65.12 -40.56 94.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.323 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 11.2 t -56.08 -37.84 69.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.316 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -152.79 89.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.458 0.647 . . . . 0.0 110.169 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.609 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.32 130.01 24.06 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.245 179.221 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo . . . . . 0 C--N 1.347 0.453 0 C-N-CA 122.59 2.193 . . . . 0.0 111.923 177.26 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.757 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 10.5 m-85 . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 120.918 0.39 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -53.69 -40.1 65.72 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -76.56 -60.3 2.4 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.86 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . 0.507 HG13 ' N ' ' C' ' 138' ' ' LEU . 28.5 pt -77.71 -50.76 19.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.206 -173.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.507 ' N ' HG13 ' C' ' 137' ' ' ILE . 9.2 tp -56.02 -42.74 76.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.129 0.422 . . . . 0.0 111.479 -172.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -63.99 -52.73 58.22 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.702 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.02 -46.52 70.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 111.518 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 20.2 tp -62.0 -38.27 87.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.407 -170.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.719 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 6.4 p -66.84 -33.62 76.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.333 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 83.7 t60 . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 121.076 0.465 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 68.9 t -101.38 122.78 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.087 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.448 ' HB ' ' NE2' ' A' ' 597' ' ' GLN . 38.6 p -107.82 170.08 8.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.234 -176.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.448 ' NE2' ' HB ' ' A' ' 596' ' ' THR . 0.9 OUTLIER -55.97 -40.31 73.07 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.085 0.24 . . . . 0.0 111.098 179.319 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.49 -49.85 76.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.01 -40.83 81.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.457 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 604' ' ' VAL . 41.3 mtp180 -62.84 -45.14 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.41 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.0 m -58.36 -40.66 82.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.147 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.55 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 90.5 m-70 -64.8 -40.63 95.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.125 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.38 -49.08 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.968 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -60.8 -40.54 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.489 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -58.49 -39.89 81.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.676 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 29.1 mtpp -57.43 -40.13 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 177.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.426 ' CD1' ' HZ3' ' A' ' 656' ' ' LYS . 7.5 mt -63.3 -51.04 67.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.445 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.54 -49.02 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.355 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.92 -39.02 76.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.184 0.516 . . . . 0.0 110.526 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.6 94.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.475 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 46.7 mt -86.82 -36.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.076 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.401 ' HZ ' ' ND2' ' B' ' 856' ' ' ASN . 0.4 OUTLIER -130.56 104.11 16.07 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.83 -40.83 81.39 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.159 2.572 . . . . 0.0 113.553 -170.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.8 t -157.75 90.81 2.3 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 121.369 0.604 . . . . 0.0 111.258 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 137.88 36.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 111.706 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -84.19 164.58 42.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.203 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.67 -36.04 40.0 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.513 2.142 . . . . 0.0 113.81 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.97 -23.43 31.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.311 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.33 70.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.553 0.692 . . . . 0.0 109.958 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.76 -26.52 65.27 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.883 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.463 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -94.19 -0.37 55.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.135 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.15 148.69 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.184 0.516 . . . . 0.0 110.74 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -62.99 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.48 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.421 ' HG2' ' CE1' ' B' ' 852' ' ' PHE . 0.3 OUTLIER -58.65 -45.17 89.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 17.0 tpt -59.77 -39.01 83.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.927 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.94 -38.67 67.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -57.76 -40.16 79.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.64 -48.68 73.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.395 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.73 -38.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.106 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.477 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -60.4 -39.98 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.091 -176.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.39 84.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -175.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 5.0 mtpt -64.5 -46.23 83.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.081 0.467 . . . . 0.0 110.357 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -58.89 -49.78 76.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.317 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -46.55 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.578 ' OE1' ' HA ' ' A' ' 636' ' ' GLU . 0.7 OUTLIER -64.3 -39.46 93.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 -177.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.61 -37.22 74.84 Favored Glycine 0 CA--C 1.516 0.148 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.9 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.65 -37.58 79.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.186 -0.507 . . . . 0.0 112.058 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.484 ' CE ' ' HD3' ' A' ' 656' ' ' LYS . 22.4 mmt -55.63 -40.91 72.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -55.19 -39.55 69.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.66 -40.58 88.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.6 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.7 p -88.22 -36.64 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.21 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.17 -9.21 1.18 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.306 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 39.9 m -155.35 157.92 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.01 -0.431 . . . . 0.0 109.978 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 22.6 ttp180 -66.68 -46.42 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.646 0.26 . . . . 0.0 111.529 -177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.37 -40.07 96.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.123 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.27 -37.31 87.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.941 0.401 . . . . 0.0 110.003 173.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.635 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 17.9 t80 -57.36 -50.25 73.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.721 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 89.7 t80 -66.28 -41.04 90.4 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.193 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -56.5 -47.27 79.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.241 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.44 -38.77 92.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.3 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 649' ' ' TYR . 86.7 mt -66.21 -39.92 89.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.47 -47.19 86.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.043 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.567 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 34.4 tt0 -59.31 -40.26 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.442 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.484 ' HD3' ' CE ' ' A' ' 639' ' ' MET . 29.6 ttpt -64.03 -49.17 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.783 -178.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 44.4 pt -65.12 -37.77 81.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.843 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.69 -39.38 93.79 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.069 0.395 . . . . 0.0 110.302 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 659' ' ' LYS . 0.2 OUTLIER -62.1 -41.1 97.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 177.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.436 HG12 HD13 ' B' ' 845' ' ' LEU . 36.6 mt -64.27 -48.66 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.553 0.692 . . . . 0.0 109.532 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.41 -47.57 69.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.919 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 662' ' ' LYS . 65.7 mmtt -65.35 -39.28 92.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.46 -43.1 93.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.036 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.9 mt -62.58 -41.32 98.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.403 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.07 -50.48 71.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.652 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -38.7 91.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.677 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.597 ' HB2' ' HZ2' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -64.18 -43.61 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.24 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -76.1 -26.54 56.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.197 0.522 . . . . 0.0 110.152 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.471 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . 0.449 HG23 ' HG2' ' A' ' 659' ' ' LYS . 30.8 pt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.436 HD13 HG12 ' A' ' 660' ' ' ILE . 3.8 mp -76.89 124.79 87.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.971 -164.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.51 178.48 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.732 2.288 . . . . 0.0 112.277 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -57.14 -48.32 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -173.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.02 -49.65 68.42 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.18 -40.5 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.088 0.47 . . . . 0.0 110.47 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.406 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 4.5 mmt -64.08 -41.07 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.912 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.76 -39.72 74.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.208 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' A' ' 624' ' ' ARG . 27.3 t80 -62.58 -49.88 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.793 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.22 -38.06 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.13 -38.84 91.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.142 -0.349 . . . . 0.0 111.122 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -72.59 -45.21 60.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . 0.401 ' ND2' ' HZ ' ' A' ' 612' ' ' PHE . 6.3 t30 . . . . . 0 C--N 1.324 -0.543 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.545 0.212 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.83 -42.6 79.92 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.712 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.6 OUTLIER -64.21 -40.17 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.209 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.448 HD21 HG12 ' C' ' 127' ' ' ILE . 2.7 mm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 32.2 t -61.16 -31.18 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -129.14 54.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.491 0.662 . . . . 0.0 110.073 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 17.5 tpt180 -106.21 122.96 40.49 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.652 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--N 1.342 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 111.84 -178.202 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.567 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 7.7 m-85 . . . . . 0 C--O 1.224 -0.241 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -54.49 -39.97 68.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' C' ' 136' ' ' LYS . 0.0 OUTLIER -72.19 -67.17 0.56 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.87 174.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . 0.416 HG13 ' N ' ' C' ' 138' ' ' LEU . 47.0 pt -78.13 -47.78 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' C' ' 134' ' ' TYR . 6.1 tp -57.01 -48.65 77.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 117.688 0.222 . . . . 0.0 111.487 -173.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -65.06 -53.09 51.0 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.88 -47.09 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.162 0.506 . . . . 0.0 112.077 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.525 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 59.0 tp -62.02 -41.36 98.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.721 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 70.8 p -77.17 -3.0 37.32 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.101 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 121.125 0.488 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 40.5 t -107.91 131.66 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 82.4 p -90.07 172.31 8.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.416 -171.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.413 HE21 ' H ' ' A' ' 598' ' ' ASP . 1.3 pm0 -61.95 -37.8 86.09 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . 0.413 ' H ' HE21 ' A' ' 597' ' ' GLN . 25.6 t70 -58.52 -49.12 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.753 -174.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 29.6 tp -58.62 -43.12 89.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.589 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 604' ' ' VAL . 19.8 mtm180 -65.55 -41.13 93.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.2 m -55.56 -40.42 71.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 110.511 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -64.67 -40.74 95.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.501 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.84 -48.97 72.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.367 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -57.11 -44.64 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.044 0.45 . . . . 0.0 110.322 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.6 t-80 -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.477 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -58.03 -40.45 80.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.944 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.3 OUTLIER -55.92 -49.76 72.57 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.65 -43.76 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.414 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.1 mm100 -56.83 -41.36 77.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.195 0.521 . . . . 0.0 111.341 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.85 91.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.906 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 607' ' ' LEU . 45.1 mt -79.5 -35.18 16.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.759 -175.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.16 100.93 15.24 Favored Pre-proline 0 N--CA 1.449 -0.495 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -59.92 -34.5 95.22 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.988 2.459 . . . . 0.0 113.277 -175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.2 t -171.58 94.17 0.42 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.309 0.576 . . . . 0.0 110.43 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.19 128.07 4.8 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.076 1.85 . . . . 0.0 113.113 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.59 155.04 15.13 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.963 170.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.83 -38.28 85.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.594 2.196 . . . . 0.0 111.48 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -58.28 -34.02 70.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -74.14 -49.71 22.58 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 110.38 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.32 -30.86 52.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 3.82 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 110.859 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 619' ' ' ALA . 18.7 t0 -96.2 141.18 29.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.66 -174.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -57.95 -38.36 75.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.309 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.452 ' HD2' ' CE1' ' B' ' 852' ' ' PHE . 60.7 mtm180 -59.06 -44.51 91.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.109 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.549 ' O ' HG23 ' A' ' 629' ' ' VAL . 16.3 tpt -65.13 -42.53 93.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.86 -45.33 78.5 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -61.96 -38.65 89.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.74 -49.91 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.064 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 625' ' ' MET . 3.4 t -57.27 -38.48 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.502 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -62.2 -39.02 91.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.431 0.634 . . . . 0.0 110.286 -176.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.567 ' CE1' HG23 ' A' ' 635' ' ' VAL . 35.0 t80 -60.72 -44.37 96.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.949 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.29 89.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.863 -174.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 6.1 mtpt -64.85 -49.35 70.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -60.09 -46.35 89.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.344 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 631' ' ' TYR . 67.6 t -63.6 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.341 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.03 -39.53 66.26 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.04 96.96 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.25 -39.54 89.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 110.731 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.4 mmt -64.26 -51.08 65.33 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.86 -174.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -55.66 -46.6 77.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.877 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.01 -49.5 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.911 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 39.8 m -75.73 -36.52 59.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -60.94 -59.31 5.58 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.56 -17.01 0.5 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.681 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 11.8 m -132.83 156.06 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -66.37 -50.64 62.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -61.02 -46.65 89.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -174.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.49 -37.08 86.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.65 -49.57 77.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.142 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.599 ' HH ' ' HB3' ' C' ' 141' ' ' LEU . 76.4 t80 -65.84 -43.49 88.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 109.963 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -57.81 -48.29 80.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.792 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.8 -51.26 70.08 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.051 0.219 . . . . 0.0 111.27 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.96 -40.66 87.53 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.99 97.16 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 110.202 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.579 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 40.9 tt0 -64.46 -40.82 96.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.293 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -64.7 -50.59 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.859 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.74 -40.64 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.363 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.437 ' HB3' ' OH ' ' C' ' 134' ' ' TYR . 74.7 t80 -66.08 -45.2 82.13 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.27 0.486 . . . . 0.0 110.969 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -55.05 -51.09 67.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.525 HG22 HD12 ' B' ' 845' ' ' LEU . 18.5 mt -68.92 -42.91 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.007 0.432 . . . . 0.0 111.07 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.99 -44.1 74.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -64.78 -39.78 94.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.145 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 17.3 tp10 -57.99 -40.86 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.574 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.08 -42.41 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.451 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.52 -46.74 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.563 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.0 OUTLIER -61.97 -39.6 92.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.956 178.536 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.71 -45.78 81.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.005 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -77.38 -29.44 53.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.34 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 . . . . . 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.201 -179.095 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 38.0 pt . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.525 HD12 HG22 ' A' ' 660' ' ' ILE . 3.3 mt -74.56 115.01 39.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.628 0.251 . . . . 0.0 110.356 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . 0.445 ' O ' ' HG2' ' B' ' 850' ' ' MET . 24.7 Cg_exo -64.16 169.43 10.7 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 0.0 113.412 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.4 m -54.33 -40.53 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.23 0.331 . . . . 0.0 111.456 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.9 -49.62 70.76 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.468 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.2 -39.73 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.047 0.451 . . . . 0.0 110.493 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.469 ' HA ' ' HE3' ' B' ' 850' ' ' MET . 10.4 mmt -56.46 -38.11 71.22 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.129 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -54.78 -39.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.355 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . 0.452 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 12.0 m-30 -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.287 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.57 -44.0 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.608 0.242 . . . . 0.0 111.57 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.46 -40.88 96.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -95.2 17.52 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.337 0.589 . . . . 0.0 110.773 -173.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.536 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -56.38 -40.31 74.37 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.901 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 2.0 pt -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.444 HD23 HG12 ' C' ' 127' ' ' ILE . 1.5 mm? -65.46 -41.98 92.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.92 -176.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 28.1 t -63.28 -14.54 50.73 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.86 48.03 1.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.517 ' HA ' ' NE ' ' C' ' 131' ' ' ARG . 0.0 OUTLIER -114.53 105.21 53.92 Favored Pre-proline 0 C--N 1.323 -0.563 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.443 -178.646 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo . . . . . 0 N--CA 1.464 -0.207 0 C-N-CA 122.482 2.121 . . . . 0.0 112.1 179.075 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.619 ' O ' ' HB3' ' C' ' 138' ' ' LEU . 49.3 m-85 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 120.673 0.273 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.01 -39.19 68.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.7 -65.7 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.968 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . 0.415 HG13 ' N ' ' C' ' 138' ' ' LEU . 41.5 pt -85.71 -46.99 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.619 ' HB3' ' O ' ' C' ' 134' ' ' TYR . 1.8 tp -58.36 -42.03 86.04 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.998 0.428 . . . . 0.0 111.091 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.32 -50.96 61.85 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.87 -0.519 . . . . 0.0 111.658 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.28 -50.23 61.19 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.599 ' HB3' ' HH ' ' A' ' 650' ' ' TYR . 53.1 tp -62.55 -39.75 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.874 -172.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.56 -21.3 64.55 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.137 -175.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 34.6 t -86.3 134.89 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -96.79 167.97 10.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -61.02 -38.31 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.86 -46.02 85.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.679 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 44.8 tp -55.0 -46.71 75.18 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 110.422 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.588 ' O ' HG22 ' A' ' 604' ' ' VAL . 48.4 mtm105 -62.46 -43.49 98.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.251 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 30.8 m -58.38 -40.09 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -64.05 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.35 -42.05 96.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.343 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 600' ' ' ARG . 2.5 t -62.63 -42.88 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.885 0.374 . . . . 0.0 110.392 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -62.15 -40.97 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.53 -38.89 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.65 175.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.411 HD12 ' HE3' ' A' ' 639' ' ' MET . 0.3 OUTLIER -59.72 -47.68 84.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.897 178.183 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.14 -46.11 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.279 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.61 ' HA ' HE21 ' A' ' 609' ' ' GLN . 0.0 OUTLIER -55.05 -37.69 67.05 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.026 0.441 . . . . 0.0 110.497 179.675 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.17 -38.71 77.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.599 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.4 mt -86.99 -38.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -127.68 108.18 20.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.181 -176.004 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.4 Cg_endo -62.8 -41.56 29.67 Favored 'Trans proline' 0 N--CA 1.473 0.266 0 C-N-CA 122.768 2.312 . . . . 0.0 112.585 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.1 t -160.65 107.25 1.32 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.81 143.23 23.34 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 111.991 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -83.25 162.55 53.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -53.5 -39.15 83.29 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.234 1.956 . . . . 0.0 113.044 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.24 57.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -42.39 63.28 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.432 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.88 -28.99 69.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.925 -173.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.487 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -91.38 0.47 57.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.905 0.384 . . . . 0.0 111.259 -179.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 11.7 t70 -96.56 148.61 22.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.514 -172.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.13 -36.85 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.427 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.82 -47.03 74.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.898 0.38 . . . . 0.0 110.173 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.446 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.8 tpt -65.41 -41.85 93.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.746 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 40.5 mt-10 -58.96 -41.04 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.61 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -63.69 -39.29 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.155 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.21 -46.9 87.22 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.281 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 625' ' ' MET . 3.2 t -64.08 -38.39 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.512 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.02 -40.74 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.922 0.391 . . . . 0.0 110.239 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.78 94.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.229 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.77 -46.7 84.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.105 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 34.8 mmtp -63.19 -46.88 85.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.975 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.28 -43.11 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.521 ' HA ' ' CE ' ' A' ' 639' ' ' MET . 1.5 tm-20 -55.55 -39.83 71.12 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.84 -44.68 97.09 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.774 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.9 -42.89 84.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 110.82 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.56 ' SD ' HD22 ' A' ' 653' ' ' LEU . 67.9 mtm -64.27 -41.47 96.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.159 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.28 -42.98 87.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.184 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.3 -40.75 81.66 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.5 p -89.05 -21.75 23.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 -63.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 74.3 -29.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.035 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.3 m -132.53 158.45 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.973 -0.455 . . . . 0.0 109.931 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.01 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 0.0 110.75 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -64.16 -40.81 96.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.642 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.55 -37.71 79.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.338 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.515 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 1.0 OUTLIER -59.27 -50.09 75.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.387 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.657 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 67.8 t80 -65.28 -39.46 92.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.189 177.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -56.25 -45.24 80.12 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.7 -39.07 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 639' ' ' MET . 96.5 mt -62.83 -40.67 98.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.419 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.437 ' HB3' ' CE1' ' C' ' 134' ' ' TYR . . . -62.96 -49.35 75.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.625 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.78 -38.63 91.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.408 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 5.3 tmtm? -64.02 -48.23 77.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 34.0 pt -65.35 -40.07 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.979 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.8 -38.1 89.85 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 121.955 -0.466 . . . . 0.0 111.079 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -56.53 -44.39 80.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.54 HG12 ' CD1' ' B' ' 845' ' ' LEU . 7.6 mt -63.46 -48.47 86.93 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.395 0.617 . . . . 0.0 109.553 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.2 -42.51 69.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.045 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -64.36 -41.63 96.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 32.1 tp10 -65.01 -42.76 94.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.996 0.426 . . . . 0.0 110.447 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.5 -42.17 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.177 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.0 tp10 -64.44 -43.01 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.252 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.1 OUTLIER -62.87 -39.9 95.87 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.177 -179.578 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -61.47 -40.09 93.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.867 0.365 . . . . 0.0 110.494 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -67.63 -34.34 76.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 77.6 mtp180 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.341 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 121.137 0.494 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.54 ' CD1' HG12 ' A' ' 660' ' ' ILE . 0.0 OUTLIER -103.14 165.44 13.6 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.045 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.17 139.78 33.01 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.525 2.15 . . . . 0.0 111.453 173.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 17.0 p -54.81 -38.25 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.793 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.59 -43.9 72.55 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.259 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.9 mm -64.66 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.292 0.568 . . . . 0.0 109.768 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.416 ' HE2' ' HA ' ' B' ' 850' ' ' MET . 31.4 mmt -64.86 -40.29 94.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -58.3 -39.27 78.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.381 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.12 -48.85 74.49 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.262 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.72 -38.58 82.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.96 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 110.768 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.25 -39.64 74.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.959 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 120.807 0.337 . . . . 0.0 110.733 -177.889 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.694 0.283 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.01 -40.41 73.34 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.454 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.686 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 3.6 pt -63.45 -37.91 80.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' C' ' 134' ' ' TYR . 1.6 mm? -68.49 -42.54 78.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.137 -175.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.7 m -55.44 -40.22 71.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.173 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.51 49.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 109.964 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.686 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.13 101.1 52.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.906 177.466 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 58.0 Cg_exo . . . . . 0 C--N 1.344 0.336 0 C-N-CA 123.173 2.582 . . . . 0.0 112.663 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.558 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 91.2 t80 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -57.9 -42.68 85.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.749 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 29.1 mtpp -61.23 -55.21 34.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.23 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.7 pt -66.76 -32.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.489 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 11.3 tp -62.91 -42.51 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.233 0.54 . . . . 0.0 111.049 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -66.7 -52.51 43.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.62 -51.36 51.12 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.657 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 33.8 tp -60.03 -40.13 88.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.901 -173.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.44 -15.1 63.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.989 0.423 . . . . 0.0 111.745 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.089 -173.331 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.3 t60 . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 120.606 0.241 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.84 122.72 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.932 -0.48 . . . . 0.0 110.176 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -103.14 167.44 9.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.873 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -59.86 -39.53 85.52 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -49.93 70.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 32.9 tp -55.56 -46.08 77.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.034 0.445 . . . . 0.0 110.317 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.554 ' O ' HG21 ' A' ' 604' ' ' VAL . 43.7 ttp180 -58.84 -46.76 86.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.9 m -57.61 -38.55 75.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.457 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.748 0.308 . . . . 0.0 110.306 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.12 -41.31 95.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.281 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -62.74 -40.27 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.864 177.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -59.48 -40.16 86.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.276 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -61.4 -37.17 82.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.16 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . 0.485 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.2 OUTLIER -55.11 -44.45 74.97 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.421 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . 0.434 HG23 HG12 ' A' ' 629' ' ' VAL . 52.8 t -64.83 -46.14 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.894 0.378 . . . . 0.0 111.429 176.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -55.72 -38.29 69.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.04 86.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.761 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 607' ' ' LEU . 31.6 mt -82.87 -36.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.437 -175.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.28 99.24 6.51 Favored Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.57 -41.42 48.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 112.96 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.5 t -157.81 104.59 1.77 Allowed Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.155 0.502 . . . . 0.0 111.689 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.415 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 1.7 Cg_endo -83.9 145.78 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 171.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -81.46 166.4 38.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.135 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.402 ' HA ' HD13 ' A' ' 620' ' ' LEU . 75.8 Cg_exo -47.74 -34.79 22.13 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.717 2.278 . . . . 0.0 113.903 -177.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.94 -27.52 28.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.934 -0.479 . . . . 0.0 110.837 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.96 65.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.548 . . . . 0.0 110.14 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 625' ' ' MET . 4.4 mt -59.24 -37.36 77.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.064 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -94.99 16.8 15.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.63 154.12 17.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -55.35 -38.72 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.233 0.333 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.492 ' HG2' ' CG ' ' B' ' 852' ' ' PHE . 9.9 tpp180 -58.4 -40.37 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.003 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.551 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.9 tpt -66.02 -44.83 83.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.589 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -63.56 -43.93 95.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . 0.463 ' ND2' HD11 ' B' ' 849' ' ' ILE . 37.7 t30 -61.0 -39.51 89.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.876 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 41.9 tp -60.25 -49.83 76.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 625' ' ' MET . 2.5 t -65.63 -40.16 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.549 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.491 0.662 . . . . 0.0 110.099 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.69 -39.87 81.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.406 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.92 93.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.448 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -65.44 -40.91 93.83 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.842 0.353 . . . . 0.0 110.437 178.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.81 -49.67 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.547 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.51 -46.45 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 173.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.4 -40.03 70.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.737 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . 0.457 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.52 -49.16 75.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.165 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.25 -39.82 86.2 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 122.157 0.979 . . . . 0.0 109.554 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 11.3 ttp -65.98 -50.55 63.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.511 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -58.73 -39.46 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.7 mt-10 -66.34 -40.03 89.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.9 m -83.25 -25.59 31.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.628 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.97 5.93 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.527 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 61.6 t30 69.27 -18.68 0.19 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.71 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.6 m -148.29 167.48 25.06 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.834 -0.541 . . . . 0.0 110.825 -175.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -64.83 -50.27 67.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.747 0.308 . . . . 0.0 111.777 -175.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.98 -46.51 90.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.627 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.5 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.182 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.498 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.2 t80 -58.13 -51.03 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.076 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.662 ' OH ' ' HA ' ' C' ' 138' ' ' LEU . 57.9 t80 -65.2 -42.07 93.92 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 11.4 t-160 -58.19 -46.59 85.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.055 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.09 -39.84 93.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.449 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.608 ' O ' HG12 ' A' ' 657' ' ' ILE . 41.7 mt -59.69 -47.21 86.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.292 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.21 97.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.405 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.605 ' CD ' HD13 ' C' ' 128' ' ' LEU . 50.6 mm-40 -64.5 -49.42 71.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.85 -48.0 70.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.31 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 653' ' ' LEU . 39.7 pt -64.47 -40.68 89.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.189 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -65.64 -41.07 93.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 117.966 0.348 . . . . 0.0 110.669 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -56.02 -51.13 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.532 HG23 HD13 ' B' ' 845' ' ' LEU . 20.6 mt -69.55 -43.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.233 0.539 . . . . 0.0 110.361 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -53.88 -45.35 71.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.789 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 0.443 ' HZ2' ' HB3' ' A' ' 662' ' ' LYS . 5.5 ttpm? -62.67 -40.93 98.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.379 178.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.86 -43.89 97.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.334 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.02 -39.92 96.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.663 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 15.1 tp10 -64.13 -50.74 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.208 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -39.25 93.98 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.045 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -64.31 -40.2 95.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -78.07 -30.92 49.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 21.8 mmm180 . . . . . 0 C--N 1.327 -0.383 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.456 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 33.0 pt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.532 HD13 HG23 ' A' ' 660' ' ' ILE . 3.5 mt -77.13 131.4 72.72 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.018 0.437 . . . . 0.0 111.731 -168.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.15 168.14 22.28 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.11 2.54 . . . . 0.0 113.087 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.04 -43.55 73.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.11 -49.83 68.25 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . 0.463 HD11 ' ND2' ' A' ' 627' ' ' ASN . 28.8 mm -66.47 -40.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.485 ' O ' HG13 ' B' ' 853' ' ' VAL . 6.1 mmt -64.97 -40.98 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.141 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.88 -38.8 76.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . 0.492 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 57.9 t80 -63.2 -43.2 98.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.627 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . 0.485 HG13 ' O ' ' B' ' 850' ' ' MET . 10.2 p -65.9 -38.57 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.808 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.22 -38.46 86.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 110.553 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -63.83 -30.69 71.75 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.942 0.401 . . . . 0.0 110.206 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -56.08 -39.23 71.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.974 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.486 HG13 ' CD ' ' C' ' 131' ' ' ARG . 1.6 pt -62.76 -38.32 81.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.819 0.342 . . . . 0.0 110.272 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.605 HD13 ' CD ' ' A' ' 655' ' ' GLU . 1.5 mm? -64.65 -41.36 96.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 110.112 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.3 m -56.38 -23.56 38.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.421 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -156.83 73.63 0.77 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.597 ' NH1' HD11 ' C' ' 128' ' ' LEU . 14.3 mtp180 -114.68 105.7 53.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.595 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 38.0 Cg_exo . . . . . 0 C--N 1.344 0.295 0 C-N-CA 123.189 2.593 . . . . 0.0 113.153 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.541 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 34.0 t80 . . . . . 0 C--O 1.224 -0.282 0 CA-C-O 120.609 0.242 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.416 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -58.6 -56.16 25.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 32.4 pt -70.78 -30.71 43.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.052 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.662 ' HA ' ' OH ' ' A' ' 650' ' ' TYR . 6.1 tp -56.42 -45.64 80.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.304 0.378 . . . . 0.0 111.087 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -65.98 -52.56 48.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.88 -53.58 20.37 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.59 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 22.8 tp -56.93 -38.49 72.97 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.573 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 57.7 p -70.91 -16.97 62.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.422 0.629 . . . . 0.0 110.765 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.317 -0.83 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.893 -177.102 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.1 t60 . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 42.6 t -110.48 120.75 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 74.5 p -102.64 155.06 18.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.205 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -58.17 -37.39 74.61 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.904 0.383 . . . . 0.0 110.074 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.25 -48.96 77.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.6 -41.94 82.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.413 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.461 ' O ' HG21 ' A' ' 604' ' ' VAL . 52.0 ttt180 -64.15 -48.53 75.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.3 m -56.97 -40.63 76.86 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -61.88 -39.81 93.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.59 -45.0 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.48 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -60.28 -40.95 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.701 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.492 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 11.7 m-70 -59.61 -42.47 92.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.248 176.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -63.09 -38.3 90.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -46.78 76.96 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.17 -48.22 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.498 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 14.6 mm100 -57.7 -39.46 77.22 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.033 0.444 . . . . 0.0 111.274 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.61 86.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 56.5 mt -82.82 -36.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.082 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.3 99.16 28.18 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.477 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.02 -38.61 94.48 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.934 2.423 . . . . 0.0 112.818 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.5 t -161.19 95.57 1.38 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.369 0.604 . . . . 0.0 111.086 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.56 137.05 62.03 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.567 2.178 . . . . 0.0 111.64 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . 0.495 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.3 p30 -84.92 162.33 50.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.878 -178.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.6 Cg_endo -45.95 -44.91 18.22 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.0 2.467 . . . . 0.0 113.455 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.33 56.92 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.51 -42.76 61.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.218 0.532 . . . . 0.0 109.943 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.675 -176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.461 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -93.5 3.9 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.171 -179.726 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -96.8 137.08 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.395 0.617 . . . . 0.0 111.172 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 623' ' ' ARG . 3.9 ptp180 -63.54 -37.21 86.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.831 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -63.91 -40.28 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -65.96 -40.15 91.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.133 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -54.17 -39.92 67.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -55.7 -38.59 69.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.332 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.68 -44.96 94.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.792 0.33 . . . . 0.0 110.314 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.3 -38.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.219 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.3 93.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.224 0.535 . . . . 0.0 110.028 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -65.4 -40.51 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.22 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.54 94.4 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.194 0.521 . . . . 0.0 109.849 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.69 -47.55 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.006 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.1 -45.28 95.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.303 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.77 -44.24 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -55.81 -39.27 71.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.07 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.45 -43.61 90.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.276 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.18 -39.59 94.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.94 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 23.9 mmt -65.09 -50.4 66.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.402 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.09 -44.65 97.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.872 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.73 -40.41 88.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 8.2 t -87.2 -30.97 20.59 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.559 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -63.5 -69.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 t30 60.93 6.69 1.27 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.036 0.534 . . . . 0.0 112.076 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.2 m -147.09 151.04 36.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -65.01 -48.27 74.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 111.509 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.68 -49.09 79.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.447 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.89 -36.74 85.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.739 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.44 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.1 t80 -56.1 -51.24 68.61 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.955 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.662 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 88.0 t80 -66.42 -42.59 87.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 110.593 175.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -59.02 -42.66 90.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.593 -175.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.67 -43.62 92.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.678 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.43 ' O ' HG12 ' A' ' 657' ' ' ILE . 55.2 mt -65.19 -41.22 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.58 81.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.979 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.17 -41.01 95.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -65.33 -48.47 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.362 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.1 pt -64.38 -38.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.144 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.52 ' HH ' ' HD2' ' C' ' 132' ' ' PRO . 7.5 t80 -64.18 -44.85 90.75 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.182 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 1.3 tmtp? -55.33 -50.53 69.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.504 HG23 HD13 ' B' ' 845' ' ' LEU . 21.1 mt -69.12 -45.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.979 0.418 . . . . 0.0 110.396 -177.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -54.27 -48.87 70.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.47 -40.34 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 0.0 110.206 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 35.4 tt0 -64.85 -40.36 95.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.031 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.715 HD22 ' SD ' ' B' ' 850' ' ' MET . 99.1 mt -58.67 -46.01 88.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.454 176.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.27 -40.78 94.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.922 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.51 -39.53 93.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.541 ' HZ1' ' HB2' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.04 -40.27 94.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -179.035 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -73.45 -26.85 61.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.41 0.624 . . . . 0.0 109.776 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 669' ' ' ARG . 40.7 ttm180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 660' ' ' ILE . 3.6 mt -78.51 119.06 75.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -168.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -78.91 178.14 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.766 2.311 . . . . 0.0 111.928 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 29.4 t -55.97 -48.72 75.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.793 -173.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -54.66 -49.85 69.61 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.35 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.234 0.54 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.715 ' SD ' HD22 ' A' ' 664' ' ' LEU . 10.5 mmt -65.5 -37.0 85.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.481 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.65 -38.41 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.19 -50.0 74.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.317 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . 0.437 HG13 ' O ' ' B' ' 850' ' ' MET . 8.5 p -66.38 -38.41 81.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 120.741 0.305 . . . . 0.0 111.422 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.22 -39.71 94.54 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.6 0.238 . . . . 0.0 110.799 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -78.3 -51.79 9.6 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.612 0.244 . . . . 0.0 111.33 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 121.002 0.43 . . . . 0.0 110.402 -176.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.23 -38.6 71.3 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -175.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.539 HG12 HD23 ' C' ' 128' ' ' LEU . 0.7 OUTLIER -61.73 -36.93 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.539 HD23 HG12 ' C' ' 127' ' ' ILE . 2.6 mm? -67.71 -42.71 81.52 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.828 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.8 t -68.14 -17.31 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.527 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . 0.561 ' O ' ' HD3' ' C' ' 132' ' ' PRO . 3.4 tpm_? -115.08 68.14 0.7 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.522 ' HB2' ' HB3' ' C' ' 134' ' ' TYR . 24.8 ptt180 -109.52 97.02 25.18 Favored Pre-proline 0 N--CA 1.445 -0.689 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.387 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.662 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -1.157 0 C-N-CA 122.761 2.307 . . . . 0.0 110.114 168.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.522 ' HB3' ' HB2' ' C' ' 131' ' ' ARG . 73.3 t80 . . . . . 0 C--O 1.224 -0.285 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . 0.662 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -53.37 -59.0 5.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 21.6 pt -69.21 -37.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.351 -177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.47 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 13.3 tp -60.94 -45.79 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 -178.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.6 -50.87 63.47 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.042 -0.411 . . . . 0.0 111.381 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.84 -51.79 51.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.549 ' HB3' ' HH ' ' A' ' 650' ' ' TYR . 20.9 tp -62.63 -39.16 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.862 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.662 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 78.8 p -76.69 -17.26 59.22 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 111.297 -175.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.425 -171.462 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.0 t -122.34 124.49 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.4 p -100.89 159.99 14.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.747 0.308 . . . . 0.0 111.353 -175.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -62.91 -38.73 92.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.53 -43.83 80.23 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.635 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.76 -46.11 77.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.909 0.385 . . . . 0.0 110.225 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.591 ' O ' HG22 ' A' ' 604' ' ' VAL . 44.5 mtm180 -62.83 -41.21 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.686 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.8 m -56.63 -41.75 77.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.22 0.533 . . . . 0.0 110.747 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -65.56 -40.33 92.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.29 -43.54 90.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.648 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 600' ' ' ARG . 2.8 t -59.69 -40.73 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.61 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.434 ' O ' ' HG3' ' A' ' 609' ' ' GLN . 26.2 m80 -61.71 -40.7 95.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.595 176.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -63.64 -39.5 94.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.79 -47.99 80.98 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.795 176.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.53 -47.21 93.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 605' ' ' HIS . 27.7 mt-30 -56.32 -38.66 71.61 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.032 0.444 . . . . 0.0 111.363 -177.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.66 79.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.743 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 50.9 mt -89.51 -35.0 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.519 -176.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.91 99.66 41.13 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.028 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . 0.499 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 59.4 Cg_endo -70.4 -42.15 2.95 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 122.392 2.061 . . . . 0.0 113.222 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 41.6 p -105.66 86.28 1.76 Allowed Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 41.6 Cg_exo -59.04 150.06 75.62 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.002 1.802 . . . . 0.0 112.287 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -137.86 126.99 14.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.152 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.71 -33.36 93.63 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.572 2.848 . . . . 0.0 113.774 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . 0.588 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.85 -19.25 24.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.718 0.294 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.37 -37.29 66.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.516 0.674 . . . . 0.0 109.872 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.59 -20.5 65.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.542 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -100.17 7.82 44.28 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -95.94 145.26 25.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -58.73 -40.67 84.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -65.93 -50.67 63.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 111.148 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -40.05 90.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.028 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.65 -40.71 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.616 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.27 -37.77 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.028 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.85 -44.22 93.8 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.394 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.01 -37.32 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.101 0.477 . . . . 0.0 109.901 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.72 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.429 0.633 . . . . 0.0 109.555 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -62.28 -41.75 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.727 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.47 98.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . 0.456 ' HD3' ' C ' ' A' ' 633' ' ' LYS . 4.2 tmtm? -64.35 -42.77 96.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.085 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.467 ' HB2' ' HZ2' ' A' ' 634' ' ' LYS . 10.0 mtmp? -64.25 -42.84 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.56 -48.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.15 -42.62 86.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.22 -40.39 96.68 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.63 -46.44 87.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.651 0.262 . . . . 0.0 110.549 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.15 -40.48 94.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -55.56 -39.89 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.586 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.0 -42.28 94.61 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.682 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 15.1 m -90.01 -25.86 20.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.188 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.69 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.127 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . 0.428 ' C ' ' HG ' ' A' ' 645' ' ' SER . 2.5 p-10 46.16 23.6 0.21 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.85 0.86 . . . . 0.0 112.9 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' SER . . . . . 0.428 ' HG ' ' C ' ' A' ' 644' ' ' ASN . 16.5 m -157.06 154.41 29.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -65.32 -51.15 62.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 0.0 111.626 -175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.01 -40.7 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.312 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.06 -38.22 90.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -62.7 -50.04 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.856 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.785 ' HH ' ' N ' ' C' ' 142' ' ' SER . 75.8 t80 -64.93 -41.46 95.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -64.35 -39.54 94.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.354 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.77 -39.5 94.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.649 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 41.2 mt -63.19 -40.95 98.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.783 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.34 97.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.264 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.59 -49.56 72.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 29.9 ttmt -67.11 -40.51 86.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.507 -173.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -61.3 -40.94 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.885 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -65.93 -38.63 89.16 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 122.317 -0.239 . . . . 0.0 110.945 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.32 -50.21 70.18 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.31 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.458 ' CG2' HD11 ' B' ' 845' ' ' LEU . 69.0 mt -65.44 -49.38 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.987 0.422 . . . . 0.0 110.388 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.459 ' HA ' HD12 ' A' ' 664' ' ' LEU . 40.9 tt0 -55.02 -40.45 70.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.211 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.4 -47.87 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.157 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -65.24 -38.51 90.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.775 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 661' ' ' GLN . 95.2 mt -54.48 -40.72 68.75 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.478 177.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.1 -49.24 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.67 -43.24 89.92 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.662 -175.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.629 ' HE3' ' SD ' ' B' ' 850' ' ' MET . 1.1 ptpm? -64.85 -40.35 95.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.048 0.451 . . . . 0.0 110.44 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -72.86 -22.26 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.28 0.562 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.35 -179.785 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 660' ' ' ILE . 3.7 mt -77.34 124.24 86.96 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.857 0.36 . . . . 0.0 111.294 -173.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 20.2 Cg_exo -65.94 169.22 13.73 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.024 2.483 . . . . 0.0 112.625 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.5 p -55.48 -40.79 72.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.678 0.275 . . . . 0.0 111.46 -176.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.67 -51.88 61.76 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.797 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.4 mm -67.45 -43.47 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.228 0.537 . . . . 0.0 110.927 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.629 ' SD ' ' HE3' ' A' ' 667' ' ' LYS . 3.6 mmt -64.56 -46.85 81.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.683 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.42 -39.98 81.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.589 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -64.64 -49.71 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.193 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.3 -38.97 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.252 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.0 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.93 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -91.59 34.9 0.96 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.252 0.548 . . . . 0.0 110.885 -175.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.771 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.104 0.478 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.16 -41.23 92.37 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.021 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.63 ' O ' ' HG3' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -64.63 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.0 109.894 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.454 HD22 HG12 ' C' ' 127' ' ' ILE . 0.8 OUTLIER -67.8 -38.29 83.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.146 -177.518 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 33.9 t -53.64 -34.0 57.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.186 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -164.95 85.65 0.41 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 112.164 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' C' ' 127' ' ' ILE . 5.9 mtp180 -113.51 124.7 30.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 166.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo . . . . . 0 C--N 1.345 0.392 0 C-N-CA 123.154 2.569 . . . . 0.0 112.842 176.131 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' C' ' 138' ' ' LEU . 12.2 t80 . . . . . 0 C--O 1.228 -0.076 0 CA-C-O 120.845 0.355 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.49 -41.17 93.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.66 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -57.16 -59.59 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.351 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 27.4 pt -66.97 -38.42 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.343 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' C' ' 134' ' ' TYR . 10.5 tp -57.22 -47.16 82.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.393 0.616 . . . . 0.0 111.686 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -56.71 -49.13 76.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.492 -176.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.35 -48.05 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.449 0.642 . . . . 0.0 111.104 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.506 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 11.2 tp -57.19 -42.18 80.75 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.61 -1.177 . . . . 0.0 112.838 -171.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.785 ' N ' ' HH ' ' A' ' 650' ' ' TYR . 6.8 p -68.9 -30.21 68.64 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -174.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.314 -0.954 0 CA-C-O 120.724 0.297 . . . . 0.0 110.228 -173.44 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.857 0.361 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 60.8 t -127.94 125.06 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.3 p -99.0 154.22 18.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.157 0.504 . . . . 0.0 111.739 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -63.32 -36.82 84.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.372 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -55.9 -40.81 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.039 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 61.2 tp -57.54 -49.66 75.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.851 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.54 ' O ' HG23 ' A' ' 604' ' ' VAL . 56.0 mtm180 -62.9 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 20.0 m -57.97 -40.8 81.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.795 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.405 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 24.1 m80 -65.55 -40.79 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.488 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.45 -48.03 74.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.218 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -58.59 -40.65 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.066 0.46 . . . . 0.0 110.173 177.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 20.0 t-80 -62.07 -41.33 98.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.629 ' HZ2' ' CD1' ' C' ' 141' ' ' LEU . 68.2 mttm -59.61 -39.99 86.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.677 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -46.11 90.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.895 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.94 -47.36 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.385 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.3 mm100 -55.5 -37.39 67.8 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.082 0.467 . . . . 0.0 110.898 -177.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.27 71.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.5 mt -90.33 -39.63 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.206 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -124.09 102.83 33.79 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.9 Cg_endo -64.05 -36.02 50.73 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 122.603 2.202 . . . . 0.0 113.321 -176.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.4 t -141.69 105.38 5.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 121.405 0.621 . . . . 0.0 110.632 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.23 132.61 53.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.237 2.625 . . . . 0.0 113.038 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.23 137.02 20.33 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.532 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -47.04 -47.76 16.05 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.074 2.516 . . . . 0.0 113.285 -174.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.27 -25.38 54.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.616 0.246 . . . . 0.0 111.354 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 625' ' ' MET . . . -72.72 -40.63 65.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.003 0.43 . . . . 0.0 110.109 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.08 -36.6 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.211 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -93.44 12.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 -177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -98.39 155.34 17.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.52 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 623' ' ' ARG . 2.1 tmt_? -55.2 -38.65 68.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 0.0 110.091 174.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.702 ' HA ' ' OD1' ' A' ' 627' ' ' ASN . 30.4 mmt180 -57.67 -38.69 75.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.964 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.584 ' O ' HG21 ' A' ' 629' ' ' VAL . 17.3 tpt -60.25 -43.23 96.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.061 175.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.28 -48.91 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -176.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . 0.702 ' OD1' ' HA ' ' A' ' 624' ' ' ARG . 2.2 p-10 -65.37 -38.66 90.73 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.887 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.7 -50.04 75.1 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.531 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 625' ' ' MET . 5.9 t -59.51 -37.4 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.394 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.32 82.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.52 -44.05 84.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.144 175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.75 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.268 0.556 . . . . 0.0 109.928 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -51.09 67.53 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.18 -45.04 88.24 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.934 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.571 ' O ' ' HG2' ' A' ' 639' ' ' MET . 71.6 t -57.9 -49.18 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.947 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.01 -40.73 77.22 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.955 0.407 . . . . 0.0 110.3 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.99 92.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.398 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.86 -39.72 91.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.812 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.4 mmt -57.09 -50.83 71.58 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -60.67 -39.7 89.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.039 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.31 -39.9 93.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.86 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 30.4 p -94.51 -47.95 6.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -171.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . 0.559 ' HA ' ' OE2' ' A' ' 648' ' ' GLU . . . -53.64 -60.94 2.66 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.712 0.405 . . . . 0.0 111.902 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.96 -9.7 0.45 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.701 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.0 m -132.53 147.22 52.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 647' ' ' ASP . 36.6 ptt180 -61.16 -49.56 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 646' ' ' ARG . 10.8 p-10 -63.2 -45.42 91.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.282 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.559 ' OE2' ' HA ' ' A' ' 643' ' ' ALA . 38.1 tt0 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.265 176.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.25 -49.99 75.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.729 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.724 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 83.2 t80 -65.66 -44.45 86.25 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.88 -42.9 76.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.188 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.25 -41.26 94.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.6 -43.44 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.46 86.18 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 121.014 0.435 . . . . 0.0 110.776 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.581 ' OE1' HD21 ' C' ' 128' ' ' LEU . 15.1 tp10 -61.97 -39.79 93.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.183 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -65.71 -47.92 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.871 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -64.05 -39.66 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.958 -175.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 1.221 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 7.0 t80 -64.55 -39.59 94.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.071 0.396 . . . . 0.0 110.708 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 659' ' ' LYS . 0.2 OUTLIER -55.51 -47.07 76.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.332 179.208 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 71.6 mt -65.8 -50.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 110.106 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.407 ' HA ' HD11 ' A' ' 664' ' ' LEU . 23.6 tp60 -55.01 -48.07 73.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.864 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . 1.221 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 56.8 mtpt -64.48 -39.36 93.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.36 . . . . 0.0 110.72 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.48 -40.72 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.057 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 86.5 mt -59.28 -47.38 85.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.573 176.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.58 -49.8 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.169 -173.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -56.73 -40.27 75.43 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.483 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 22.0 pttm -64.95 -37.2 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.253 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -74.4 -25.62 59.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.118 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 174.855 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.461 0.102 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.54 HD23 ' O ' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -79.42 158.3 74.08 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.764 -178.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.45 168.34 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.569 2.18 . . . . 0.0 113.017 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 t -57.43 -38.53 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.2 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.44 -48.56 65.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.182 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 7.6 mm -66.18 -40.32 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.218 0.532 . . . . 0.0 110.333 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.458 ' O ' HG13 ' B' ' 853' ' ' VAL . 3.6 mmt -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.623 -177.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.17 -39.12 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.573 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 624' ' ' ARG . 44.9 t80 -62.58 -49.18 76.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.441 -178.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . 0.458 HG13 ' O ' ' B' ' 850' ' ' MET . 8.6 p -64.15 -38.36 82.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.915 0.388 . . . . 0.0 110.798 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.12 -38.49 86.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -82.58 -10.51 58.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.689 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.234 0.54 . . . . 0.0 112.011 -177.496 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.09 0.472 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.17 -39.37 69.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.56 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.7 pt -63.32 -40.21 88.2 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.096 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.581 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.0 mm? -62.46 -42.92 99.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.183 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -55.74 -24.72 36.73 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.768 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -142.62 59.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 109.766 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.574 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 1.4 tpm_? -112.67 99.61 48.17 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.175 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.489 ' O ' ' HB2' ' C' ' 136' ' ' LYS . 76.9 Cg_exo . . . . . 0 C--N 1.343 0.264 0 C-N-CA 123.394 2.73 . . . . 0.0 113.748 -177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.539 ' CD1' HD11 ' C' ' 128' ' ' LEU . 58.3 t80 . . . . . 0 C--O 1.218 -0.557 0 N-CA-C 110.763 -0.088 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -61.87 -41.6 98.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.727 0.299 . . . . 0.0 110.611 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' C' ' 132' ' ' PRO . 8.2 tmtt? -59.14 -56.55 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.8 pt -67.24 -35.28 73.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.679 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.601 ' HA ' ' OH ' ' A' ' 650' ' ' TYR . 13.9 tp -57.39 -50.16 73.87 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 123.014 0.196 . . . . 0.0 111.229 -177.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.66 -52.61 50.37 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.96 -49.35 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.456 0.646 . . . . 0.0 112.076 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.722 ' HB3' ' HH ' ' A' ' 650' ' ' TYR . 24.1 tp -64.06 -37.82 88.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.574 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.724 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 84.9 p -70.2 1.13 5.12 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.558 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.052 0.454 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 83.0 t -118.77 126.05 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 29.0 p -105.15 166.88 10.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.873 0.368 . . . . 0.0 111.814 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -64.34 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.589 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.48 -39.97 92.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.219 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 38.4 tp -57.86 -43.7 86.09 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 604' ' ' VAL . 93.9 mtt180 -61.38 -42.82 99.33 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.374 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.6 m -55.9 -39.76 72.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -64.72 -41.18 96.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.176 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.14 -44.1 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.93 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -61.89 -40.94 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-O 121.17 0.509 . . . . 0.0 109.942 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 14.1 t60 -60.09 -45.54 92.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.602 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.446 ' HD3' HD11 ' C' ' 141' ' ' LEU . 96.2 mttt -60.72 -37.27 81.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.568 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -48.21 78.81 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.42 -43.83 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.5 mm100 -55.9 -38.42 70.19 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.038 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.35 -36.58 71.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.565 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 14.5 mt -85.3 -31.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.396 -173.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -151.0 114.95 3.16 Favored Pre-proline 0 N--CA 1.47 0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 110.774 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.13 -30.27 88.68 Favored 'Trans proline' 0 N--CA 1.479 0.619 0 C-N-CA 123.461 2.774 . . . . 0.0 114.273 -174.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.9 t -135.04 102.97 10.81 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.408 0.623 . . . . 0.0 111.695 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.87 130.16 21.2 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.012 2.474 . . . . 0.0 112.481 177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -75.93 152.92 84.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . 0.414 ' HA ' HD13 ' A' ' 620' ' ' LEU . 31.5 Cg_exo -57.3 -32.77 94.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.616 2.211 . . . . 0.0 112.333 178.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.37 -19.92 35.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 110.794 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -39.62 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.451 . . . . 0.0 110.482 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 617' ' ' PRO . 2.5 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.657 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -100.1 6.83 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -86.59 129.09 35.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.932 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -61.04 -38.02 84.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.07 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -64.73 -40.11 94.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.121 0.486 . . . . 0.0 109.832 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.427 ' O ' HG21 ' A' ' 629' ' ' VAL . 2.0 tmt? -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.717 175.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -55.71 -42.65 75.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -58.21 -39.74 79.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.387 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.461 HD12 ' CG2' ' B' ' 849' ' ' ILE . 25.3 tp -64.68 -43.77 92.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 625' ' ' MET . 2.6 t -59.51 -36.98 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 120.955 0.407 . . . . 0.0 109.973 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.26 96.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.984 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.41 -43.53 94.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.129 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.76 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.132 0.492 . . . . 0.0 110.199 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -64.9 -44.25 90.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.322 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -60.76 -49.27 78.17 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.768 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.78 -47.45 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.998 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -47.12 78.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.17 -50.05 53.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.17 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.7 -38.68 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.42 -0.39 . . . . 0.0 111.134 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.457 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 41.2 tpp -60.07 -49.53 77.28 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.004 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -57.52 -37.17 72.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.597 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.791 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 14.3 m -91.03 -30.67 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.693 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.32 2.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 122.788 0.435 . . . . 0.0 112.078 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.6 t30 72.56 -28.83 0.19 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.9 m -128.04 160.26 32.5 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.045 -0.409 . . . . 0.0 110.291 -172.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 646' ' ' ARG . 0.0 OUTLIER -66.27 -51.07 61.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 111.679 -175.363 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.5 -41.99 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.466 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.95 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.719 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.89 -49.7 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.266 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.678 ' HH ' ' N ' ' C' ' 142' ' ' SER . 83.5 t80 -64.95 -45.12 87.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.017 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -64.19 -41.24 97.17 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 -174.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.457 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 70.2 mt -65.09 -40.92 95.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.309 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 66.8 mt -66.78 -42.58 85.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.689 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.58 -43.87 96.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.942 0.401 . . . . 0.0 110.74 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.477 ' OE2' HD23 ' C' ' 128' ' ' LEU . 42.6 tt0 -64.05 -40.0 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 176.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -64.7 -50.72 65.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.744 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.4 pt -66.32 -38.74 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.693 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . 0.666 ' OH ' ' HD3' ' C' ' 131' ' ' ARG . 32.7 t80 -65.17 -49.3 70.33 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 120.537 0.208 . . . . 0.0 111.494 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.96 -43.85 86.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.583 -175.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.538 HD11 HD11 ' B' ' 845' ' ' LEU . 24.7 mt -69.19 -48.59 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 0.0 110.505 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -55.09 -44.6 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -56.64 -42.87 79.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.321 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 5.9 tp10 -65.53 -47.49 75.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.583 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.95 -39.51 74.7 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.38 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.8 -48.42 81.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.43 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -39.72 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.31 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 68.5 mttm -56.56 -47.06 80.28 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.645 0.259 . . . . 0.0 111.305 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.72 -21.36 52.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 176.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . 0.444 ' HA ' HG12 ' A' ' 660' ' ' ILE . 3.1 mt . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 120.841 0.353 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.538 HD11 HD11 ' A' ' 660' ' ' ILE . 1.4 mt -80.82 147.32 62.01 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.66 151.17 86.32 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.964 2.443 . . . . 0.0 112.402 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.2 m -55.39 -39.62 70.38 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.408 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -59.91 -41.42 91.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.775 0.321 . . . . 0.0 111.515 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 628' ' ' LEU . 9.8 mm -65.07 -40.97 90.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.48 ' HE2' ' HA ' ' B' ' 850' ' ' MET . 0.0 OUTLIER -58.44 -40.63 83.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 174.503 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 37.9 m-20 -55.24 -42.9 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.579 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -65.83 -52.2 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.301 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.75 -44.63 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.577 -176.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.3 -46.58 76.47 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -73.64 -60.17 2.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.014 -167.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 9.7 t30 . . . . . 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.682 -171.799 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.647 0.261 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.17 -41.29 71.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.175 -174.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.663 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 6.0 pt -66.61 -41.92 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.135 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.477 HD23 ' OE2' ' A' ' 655' ' ' GLU . 1.1 mm? -65.04 -38.14 89.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.445 -171.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 20.5 t -55.33 -17.1 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.15 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.79 45.43 2.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.666 ' HD3' ' OH ' ' A' ' 658' ' ' TYR . 4.2 mmp_? -112.47 102.86 54.99 Favored Pre-proline 0 N--CA 1.465 0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.478 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 CA--C 1.529 0.227 0 C-N-CA 122.833 2.355 . . . . 0.0 112.722 -179.421 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . . . . . . . . . 83.7 t80 . . . . . 0 C--O 1.227 -0.116 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . 0.457 ' C ' ' HD3' ' C' ' 135' ' ' ARG . 2.7 tmt_? -62.39 -42.83 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.701 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -52.87 -58.88 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.459 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.7 pt -69.11 -31.97 52.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.937 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.93 -45.05 87.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.241 0.543 . . . . 0.0 110.846 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -66.58 -52.59 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.937 0.399 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.88 -47.14 72.75 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.483 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 8.7 tp -62.03 -36.71 82.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.437 -170.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.678 ' N ' ' HH ' ' A' ' 650' ' ' TYR . 8.4 p -76.53 -1.95 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.587 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.7 t60 . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 120.927 0.394 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 53.6 t -120.47 105.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.9 p -98.75 165.88 11.58 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.607 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.421 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -57.64 -37.67 73.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.771 173.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -55.62 -47.38 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 47.2 tp -59.78 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.688 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.515 ' O ' HG22 ' A' ' 604' ' ' VAL . 37.3 mmm-85 -63.02 -49.67 73.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 10.9 t -58.25 -39.85 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.481 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -64.45 -40.01 94.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.525 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 18.5 mt -65.26 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.298 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 600' ' ' ARG . 2.0 t -64.61 -41.26 91.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.379 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.04 -49.12 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 21.7 ptmt -61.68 -36.98 82.41 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -46.37 86.23 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.47 -45.16 98.61 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.825 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -55.76 -37.87 69.1 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.23 85.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.552 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.437 HG12 HG23 ' A' ' 660' ' ' ILE . 12.7 mt -84.47 -37.84 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.081 -176.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.83 104.82 9.79 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.07 -41.48 22.38 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 122.737 2.291 . . . . 0.0 113.775 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -155.07 90.53 2.99 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.798 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.91 147.08 26.67 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.686 2.257 . . . . 0.0 111.038 173.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.14 156.6 66.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.261 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.33 -38.12 61.86 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.511 2.141 . . . . 0.0 113.638 -173.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.77 -23.15 49.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.953 0.406 . . . . 0.0 110.58 -174.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.23 63.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.389 0.614 . . . . 0.0 110.013 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.7 mt -66.22 -25.44 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.588 -171.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -87.22 -6.25 58.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.356 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.539 ' OD1' ' HG2' ' A' ' 624' ' ' ARG . 14.5 t70 -95.23 155.31 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.51 0.672 . . . . 0.0 111.16 -172.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . 0.46 ' HA ' ' OE1' ' A' ' 626' ' ' GLU . 38.5 ttm180 -58.08 -37.11 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.512 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.539 ' HG2' ' OD1' ' A' ' 622' ' ' ASP . 31.4 ptt180 -58.24 -41.36 84.01 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.855 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 77.1 mmm -67.34 -39.56 85.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.45 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 623' ' ' ARG . 50.3 mt-10 -54.74 -40.49 69.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.683 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -62.03 -37.46 84.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 18.1 tp -61.0 -44.48 97.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.228 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.08 -38.2 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.266 0.555 . . . . 0.0 109.996 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.593 ' HH ' ' HA ' ' B' ' 845' ' ' LEU . 73.9 t80 -61.02 -43.14 99.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.246 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.47 95.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.053 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.91 -47.41 83.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.323 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . 0.408 ' HZ2' ' HB3' ' A' ' 634' ' ' LYS . 9.0 mtpm? -64.58 -45.66 86.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.027 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.4 -47.86 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.71 -39.06 87.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.208 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.7 -39.3 97.36 Favored Glycine 0 C--O 1.235 0.181 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.548 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.41 -39.95 85.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.421 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 21.6 mmt -59.23 -44.13 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -174.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.73 -39.79 74.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.253 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.53 -40.62 95.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -175.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.8 p -94.47 -29.05 15.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.039 0.447 . . . . 0.0 111.0 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.3 -67.53 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.784 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 64.0 t30 48.04 25.76 0.86 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.536 0.523 . . . . 0.0 112.12 -174.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 7.7 m -153.47 147.65 25.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -64.8 -47.09 79.35 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.13 -45.64 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.594 0.235 . . . . 0.0 110.984 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.12 -37.53 87.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.65 -49.29 75.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.57 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.528 ' HH ' ' HA ' ' C' ' 138' ' ' LEU . 64.5 t80 -64.97 -40.48 95.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -61.29 -40.96 96.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.321 -177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . 0.421 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 54.5 mt -65.78 -39.54 91.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.493 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.438 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . 0.412 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -58.12 -40.76 82.05 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.413 0.625 . . . . 0.0 109.997 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.842 ' OE1' HD22 ' C' ' 128' ' ' LEU . 12.6 tp10 -61.48 -42.1 98.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.347 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.98 -48.94 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.441 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . 0.412 HG12 ' HA ' ' A' ' 654' ' ' ALA . 37.6 pt -63.37 -40.99 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.131 -174.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.15 -38.83 91.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.209 0.458 . . . . 0.0 110.938 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.511 ' HB2' ' NZ ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -57.86 -44.31 86.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.536 HG12 HD12 ' B' ' 845' ' ' LEU . 59.2 mt -64.46 -51.52 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.273 0.559 . . . . 0.0 110.432 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . 0.434 ' HA ' HD13 ' A' ' 664' ' ' LEU . 8.5 tt0 -55.37 -41.04 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.146 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -57.01 -49.11 76.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.824 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.08 -39.55 93.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.472 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 661' ' ' GLN . 85.5 mt -54.2 -49.19 69.97 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.283 0.563 . . . . 0.0 109.879 176.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.39 -46.96 74.88 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.121 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -41.54 87.51 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.578 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.413 ' HD3' ' HG ' ' B' ' 854' ' ' LEU . 58.4 tttp -62.95 -42.31 99.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 111.202 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -77.76 -32.43 52.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.278 -178.826 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 N--CA 1.462 0.161 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.593 ' HA ' ' HH ' ' A' ' 631' ' ' TYR . 3.6 mp -93.97 143.73 26.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 111.787 -170.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 154.7 72.5 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.6 2.2 . . . . 0.0 111.699 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -55.17 -49.99 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -171.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -54.96 -44.55 74.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -172.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.2 mm -64.22 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.17 0.51 . . . . 0.0 109.977 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.487 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 12.2 mmt -65.47 -40.42 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.972 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -59.15 -39.73 83.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . 0.404 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 10.7 t80 -60.28 -50.5 73.4 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.265 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.77 -43.67 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.719 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . 0.413 ' HG ' ' HD3' ' A' ' 667' ' ' LYS . 4.0 mm? -64.91 -38.56 91.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.494 0.188 . . . . 0.0 111.371 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.68 -10.97 60.36 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 110.797 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 56.4 t30 . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.779 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.967 0.413 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -56.35 -39.69 73.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.707 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.714 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -64.49 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.842 HD22 ' OE1' ' A' ' 655' ' ' GLU . 3.9 mm? -63.29 -41.51 98.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -176.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -57.75 -16.4 11.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.17 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -119.8 30.38 7.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.458 0.647 . . . . 0.0 110.176 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 4.0 mmp_? -113.54 100.86 52.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.576 2.184 . . . . 0.0 112.133 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.525 ' CD1' HD12 ' C' ' 128' ' ' LEU . 58.4 t80 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.758 0.313 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.16 -41.76 89.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.75 -54.97 20.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.03 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' C' ' 141' ' ' LEU . 45.9 pt -67.94 -27.44 37.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.975 -174.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.528 ' HA ' ' HH ' ' A' ' 650' ' ' TYR . 18.7 tp -58.28 -50.16 74.58 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.557 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.09 -51.51 37.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.155 0.502 . . . . 0.0 111.779 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -47.94 72.19 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.52 ' HG ' ' HZ3' ' A' ' 606' ' ' LYS . 37.1 tp -65.2 -40.99 94.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.247 -169.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 3.7 p -67.1 -33.82 76.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.645 -171.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 177.183 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 48.1 t60 . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.46 124.62 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 77.2 p -85.05 153.68 22.57 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.973 -171.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -38.13 87.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.12 -49.96 72.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.7 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.93 -45.02 91.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.51 ' HB3' ' OE2' ' A' ' 636' ' ' GLU . 80.2 mtp180 -63.17 -48.5 78.15 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.105 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.4 t -57.34 -39.81 76.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.571 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -64.05 -40.69 96.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.021 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 653' ' ' LEU . 19.7 mt -65.61 -44.94 85.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.043 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 600' ' ' ARG . 2.2 t -57.73 -43.91 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 25.4 m80 -62.69 -42.57 99.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 177.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.613 ' HD3' ' CD1' ' C' ' 141' ' ' LEU . 67.6 mttm -60.03 -38.93 84.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.085 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -47.62 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.73 -44.36 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.281 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.1 mm100 -58.41 -38.02 76.52 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.834 0.349 . . . . 0.0 111.625 -176.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.31 90.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.466 0.651 . . . . 0.0 110.373 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.3 mt -84.28 -29.22 7.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.223 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.2 87.5 33.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.768 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.07 -34.64 89.68 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.452 2.102 . . . . 0.0 112.394 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.3 p -124.72 77.32 64.62 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.09 151.13 49.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.018 1.812 . . . . 0.0 111.72 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -111.4 133.81 21.33 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.32 -28.51 53.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.454 2.77 . . . . 0.0 114.1 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.75 -12.41 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 111.478 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.18 67.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.64 -22.01 12.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -80.8 -22.49 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.956 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.17 148.25 50.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.515 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -64.61 -40.79 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.362 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.526 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.442 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -64.19 -40.81 96.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 0.0 109.795 176.536 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -56.01 -40.78 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.75 175.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.23 -38.35 86.33 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 625' ' ' MET . 41.7 tp -60.79 -50.7 72.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.481 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.35 -37.96 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.394 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.28 94.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -58.19 -44.25 87.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.454 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.79 96.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.217 0.532 . . . . 0.0 109.883 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.25 -46.79 85.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.845 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.9 -43.86 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.458 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.54 -42.53 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.598 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.51 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 4.2 tp10 -54.56 -42.79 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.8 -51.27 41.84 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.114 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.8 -38.3 88.59 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.938 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 44.5 tpp -62.74 -49.58 74.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.767 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -55.17 -39.65 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.163 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.81 -39.76 91.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.422 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.2 p -85.81 -49.74 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.482 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -50.62 -68.56 0.16 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.664 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.28 13.45 5.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.518 0.675 . . . . 0.0 111.324 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 17.1 m -153.6 150.92 29.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -65.54 -46.44 79.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.62 0.248 . . . . 0.0 111.301 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.29 -45.06 89.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.307 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.27 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.506 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.81 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.735 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 62.8 t80 -66.87 -45.71 77.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.467 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -61.58 -44.67 96.6 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.175 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.55 -40.78 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.723 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . 0.408 ' CD1' HD12 ' A' ' 603' ' ' LEU . 50.2 mt -66.72 -43.78 83.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.09 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.54 99.71 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.35 -40.58 93.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.53 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -64.27 -50.23 68.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.958 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 32.4 pt -66.02 -40.21 86.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.217 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -66.35 -44.83 82.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.829 0.286 . . . . 0.0 110.848 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . 0.531 ' HZ1' ' HB2' ' A' ' 659' ' ' LYS . 4.9 ttmp? -54.15 -50.75 66.24 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.599 HG23 HD13 ' B' ' 845' ' ' LEU . 17.4 mt -70.42 -46.6 70.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 0.0 110.751 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -55.25 -40.49 70.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.52 -43.89 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.264 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.14 -41.74 97.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.269 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.578 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 94.9 mt -58.73 -40.08 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.301 177.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.99 -50.83 62.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.76 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -40.51 96.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.238 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -62.37 -35.02 77.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 178.112 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -65.86 -16.05 63.47 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' A' ' 669' ' ' ARG . 6.1 mmp_? . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 121.048 0.451 . . . . 0.0 110.259 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.599 HD13 HG23 ' A' ' 660' ' ' ILE . 4.2 mt -78.19 128.57 77.95 Favored Pre-proline 0 C--O 1.233 0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.056 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.67 175.0 11.69 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.892 2.394 . . . . 0.0 113.185 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 15.1 m -55.47 -45.09 76.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -172.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.91 -49.13 69.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 24.0 mm -64.81 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 110.472 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 850' ' ' MET . . . . . 0.449 ' HE2' ' HA ' ' B' ' 850' ' ' MET . 9.3 mmt -64.47 -40.72 96.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.578 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.1 -45.01 94.1 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . 0.429 HG13 HD23 ' B' ' 854' ' ' LEU . 7.9 p -64.22 -41.36 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.011 -176.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . 0.429 HD23 HG13 ' B' ' 853' ' ' VAL . 4.5 mm? -66.11 -38.4 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.55 0.214 . . . . 0.0 111.098 175.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -88.44 26.75 1.38 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.689 0.756 . . . . 0.0 110.512 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.744 177.065 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.02 0.438 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.67 -42.44 71.36 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.601 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.696 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.2 pt -65.11 -42.43 94.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.55 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.475 HD22 ' CG1' ' C' ' 127' ' ' ILE . 2.4 mm? -64.56 -46.43 82.83 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.583 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.6 m -57.62 -20.9 36.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' C' ' 130' ' ' ARG . 23.0 ttp85 -147.19 47.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.462 0.649 . . . . 0.0 111.069 -174.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.696 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 4.9 ttt180 -113.72 115.48 46.35 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.86 -0.525 . . . . 0.0 111.169 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo . . . . . 0 C--N 1.346 0.422 0 C-N-CA 123.944 3.096 . . . . 0.0 114.754 -171.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 66.5 t80 . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -60.99 -41.08 95.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -51.42 -57.7 8.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.956 175.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 34.7 pt -71.47 -37.4 64.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.832 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.479 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 42.3 tp -53.52 -48.68 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.43 0.292 . . . . 0.0 111.585 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.33 -53.21 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.891 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.63 -48.0 68.02 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.384 0.612 . . . . 0.0 112.01 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.735 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 15.4 tp -60.98 -39.58 90.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.805 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 142' ' ' SER . . . . . 0.532 ' N ' ' HH ' ' A' ' 650' ' ' TYR . 92.3 p -80.53 -1.99 44.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.738 -176.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.234 0.265 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -178.866 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 47.0 t60 . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' VAL . . . . . 0.43 HG11 ' HH ' ' A' ' 640' ' ' TYR . 25.7 t -152.25 82.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.626 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.9 p -99.87 152.62 19.94 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.152 172.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.28 -36.6 84.61 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.009 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -55.88 -45.95 78.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.462 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.96 -49.63 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.596 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' ARG . . . . . 0.536 ' O ' HG21 ' A' ' 604' ' ' VAL . 76.5 mtp180 -65.73 -46.49 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.626 -178.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 31.2 t -55.87 -39.81 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 14.1 m-70 -65.69 -39.91 91.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.448 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.95 -42.91 89.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.528 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 600' ' ' ARG . 2.6 t -62.41 -40.57 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-O 121.122 0.487 . . . . 0.0 109.862 174.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -58.97 -40.81 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' LYS . . . . . 0.621 ' HD3' ' CD1' ' C' ' 141' ' ' LEU . 68.8 mttm -64.34 -37.55 87.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.194 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -41.98 95.29 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -46.95 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.838 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -55.98 -38.27 70.2 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.556 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.11 78.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.619 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' ILE . . . . . 0.417 ' O ' HG22 ' B' ' 853' ' ' VAL . 41.4 mt -83.27 -37.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.625 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -152.19 117.98 3.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.966 -171.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.74 -43.62 7.0 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.165 2.576 . . . . 0.0 115.661 -172.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 6.1 t -170.7 117.14 0.47 Allowed Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 118.827 0.74 . . . . 0.0 112.645 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -88.74 158.14 6.21 Favored 'Trans proline' 0 N--CA 1.478 0.575 0 C-N-CA 124.211 3.274 . . . . 0.0 114.65 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.79 165.93 22.81 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.596 168.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.72 -35.21 57.21 Favored 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 122.475 2.117 . . . . 0.0 114.331 -175.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.7 -14.19 58.34 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.996 -0.44 . . . . 0.0 111.867 -171.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.88 -30.23 63.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.05 0.928 . . . . 0.0 110.395 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.95 -16.33 57.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.974 -1.466 . . . . 0.0 112.431 -172.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.1 OUTLIER -90.11 -9.08 49.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.072 0.463 . . . . 0.0 111.412 -173.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 28.0 t70 -76.23 136.78 39.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.955 -175.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.61 -37.84 85.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.141 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' ARG . . . . . 0.462 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 5.6 tpp180 -56.87 -32.81 66.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' MET . . . . . 0.644 ' HA ' ' CZ ' ' B' ' 852' ' ' PHE . 2.0 tmt? -49.15 -36.57 19.67 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.641 1.176 . . . . 0.0 112.68 -172.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.17 -38.12 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.438 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.12 -40.77 70.89 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -174.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.15 -48.74 72.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.828 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.44 -39.16 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.48 94.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 109.392 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' TYR . . . . . 0.428 ' O ' HG22 ' A' ' 635' ' ' VAL . 51.9 t80 -63.79 -43.54 96.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.626 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.31 94.22 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.261 -174.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -49.64 69.73 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.087 0.47 . . . . 0.0 110.384 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -55.4 -47.09 76.43 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.197 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' A' ' 639' ' ' MET . 67.8 t -56.85 -48.29 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 174.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' GLU . . . . . 0.49 ' CD ' ' HH ' ' A' ' 649' ' ' TYR . 11.6 tp10 -55.87 -40.81 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.53 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -59.42 -42.11 97.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.001 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -38.22 89.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.614 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.7 mmt -63.83 -48.89 74.99 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.349 -175.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.43 ' HH ' HG11 ' A' ' 595' ' ' VAL . 39.0 t80 -58.63 -39.34 80.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.2 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -66.0 -40.88 91.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.139 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -97.61 -21.75 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.09 -57.49 11.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.88 -22.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.387 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 23.4 m -147.69 152.61 38.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -64.96 -41.97 94.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.604 0.24 . . . . 0.0 111.531 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.88 -46.29 90.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.14 -37.67 88.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.468 . . . . 0.0 110.117 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' TYR . . . . . 0.49 ' HH ' ' CD ' ' A' ' 636' ' ' GLU . 1.1 t80 -55.45 -47.9 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.664 179.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' TYR . . . . . 0.888 ' OH ' ' HA ' ' C' ' 138' ' ' LEU . 89.4 t80 -64.29 -41.13 97.02 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' HIS . . . . . 0.424 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 45.0 m170 -57.3 -49.46 76.03 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.821 0.344 . . . . 0.0 111.221 -177.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.04 -48.28 79.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.027 -170.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.38 -41.44 89.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.647 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.93 88.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.719 0.295 . . . . 0.0 110.985 -178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' GLU . . . . . 0.432 ' OE2' HD22 ' C' ' 128' ' ' LEU . 9.9 mm-40 -64.21 -39.98 95.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.37 -50.32 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.8 pt -65.18 -37.54 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.452 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -65.2 -48.91 71.73 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.468 -176.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -55.83 -50.01 71.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' ILE . . . . . 0.57 HG21 ' CG2' ' B' ' 844' ' ' ILE . 10.5 mt -67.96 -49.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.18 -174.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -54.99 -46.44 75.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.267 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -64.41 -40.09 95.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.356 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' GLU . . . . . 0.696 ' OE2' HG21 ' B' ' 844' ' ' ILE . 35.6 tt0 -65.04 -42.03 94.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.931 0.396 . . . . 0.0 110.343 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 96.8 mt -62.13 -39.07 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.7 tp10 -60.11 -49.24 78.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.295 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -62.07 -39.42 92.34 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.17 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -58.78 -40.54 84.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.868 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' ARG . . . . . 0.446 ' O ' ' HD3' ' A' ' 668' ' ' ARG . 2.1 tmt_? -75.4 -31.87 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 67.9 mtp180 . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 844' ' ' ILE . . . . . 0.696 HG21 ' OE2' ' A' ' 663' ' ' GLU . 14.5 pt . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 845' ' ' LEU . . . . . 0.538 ' HB3' ' HD2' ' B' ' 846' ' ' PRO . 3.8 mp -155.93 -172.26 0.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 846' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 26.7 Cg_exo -67.53 -155.42 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 121.74 1.626 . . . . 0.0 111.634 156.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 7.4 t -67.58 -43.16 81.23 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -169.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.3 -55.31 32.89 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -156.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.96 -38.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.159 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -44.9 71.89 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.986 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -55.91 -39.99 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.182 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 852' ' ' PHE . . . . . 0.644 ' CZ ' ' HA ' ' A' ' 625' ' ' MET . 14.8 t80 -65.23 -52.85 51.96 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.181 -0.207 . . . . 0.0 111.475 -176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 853' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 611' ' ' ILE . 9.5 p -67.3 -39.29 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.373 -177.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.79 -37.17 85.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.221 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.59 -30.89 70.97 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 121.059 0.457 . . . . 0.0 110.302 179.748 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 125' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' C' ' 125' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.093 0.473 . . . . 0.0 110.153 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.78 -39.41 74.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.594 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 127' ' ' ILE . . . . . 0.624 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 5.5 pt -60.57 -40.17 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.811 -174.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.432 HD22 ' OE2' ' A' ' 655' ' ' GLU . 2.9 mm? -57.82 -41.55 82.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.175 0.512 . . . . 0.0 110.447 -177.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 47.1 m -56.86 -27.05 59.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.251 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.72 45.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.436 0.636 . . . . 0.0 109.616 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 131' ' ' ARG . . . . . 0.624 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.3 OUTLIER -105.51 101.61 32.91 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.82 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo . . . . . 0 N--CA 1.473 0.302 0 C-N-CA 123.571 2.848 . . . . 0.0 114.057 -174.62 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 134' ' ' TYR . . . . . 0.615 ' O ' ' HG ' ' C' ' 138' ' ' LEU . 66.4 t80 . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 135' ' ' ARG . . . . . 0.485 ' HA ' HD12 ' C' ' 138' ' ' LEU . 29.1 tpt180 -60.33 -42.14 95.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.45 174.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.51 -47.25 73.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.82 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 43.3 pt -78.07 -29.49 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.985 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 138' ' ' LEU . . . . . 0.888 ' HA ' ' OH ' ' A' ' 650' ' ' TYR . 87.0 mt -54.74 -50.43 68.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.268 0.556 . . . . 0.0 110.289 173.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.77 -51.57 64.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.564 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.39 -50.65 58.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 141' ' ' LEU . . . . . 0.621 ' CD1' ' HD3' ' A' ' 606' ' ' LYS . 12.8 tp -65.68 -46.78 77.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.209 -167.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 76.7 p -75.87 -25.74 56.43 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.772 0.32 . . . . 0.0 111.258 -173.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.127 0.489 . . . . 0.0 110.569 179.734 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.519 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.28 108.19 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -114.39 -78.46 0.58 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -147.79 60.76 1.13 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.502 0.668 . . . . 0.0 109.865 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -99.12 3.59 58.43 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.96 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -52.13 -58.14 7.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.157 0.503 . . . . 0.0 110.469 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -79.73 3.04 20.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.083 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -87.68 -32.5 19.18 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.698 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -89.41 -5.65 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 64.0 t -104.65 118.87 52.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.8 p -95.37 160.85 14.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.798 0.332 . . . . 0.0 111.443 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.84 88.88 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.606 ' OD2' ' HA2' ' C' ' 147' ' ' GLY . 13.7 t70 -55.47 -48.6 74.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.974 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' C' ' 145' ' ' ALA . 60.2 tp -55.42 -47.78 75.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.468 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.0 mtp180 -64.38 -40.03 95.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.755 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.4 m -56.54 -40.75 75.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.417 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.546 ' CG ' ' HB2' ' C' ' 146' ' ' PRO . 75.4 m-70 -64.53 -38.56 91.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.078 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 24.5 mt -65.09 -46.92 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.525 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -63.74 -43.55 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -58.89 -47.59 84.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.046 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.612 ' NZ ' HD23 ' C' ' 141' ' ' LEU . 12.9 pttp -64.37 -34.85 79.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 177.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -42.83 87.13 Favored 'General case' 0 N--CA 1.461 0.11 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.66 -47.65 87.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -55.26 -37.36 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.21 -38.64 74.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.732 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.424 ' O ' HG21 ' B' ' 853' ' ' VAL . 37.5 mt -91.18 -43.15 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.097 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.15 94.06 37.36 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.15 -41.49 21.9 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.582 2.188 . . . . 0.0 113.115 -175.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -147.41 94.93 4.4 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 121.554 0.693 . . . . 0.0 111.449 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.72 142.54 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.997 2.464 . . . . 0.0 111.122 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.14 161.5 67.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 119.28 -0.391 . . . . 0.0 110.111 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.405 ' HA ' HD11 ' A' ' 620' ' ' LEU . 71.3 Cg_exo -48.11 -34.77 24.45 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.646 2.23 . . . . 0.0 113.958 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.0 -26.95 36.08 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 -177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 625' ' ' MET . 3.6 mt -59.77 -38.41 81.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.61 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 13.36 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.038 0.447 . . . . 0.0 111.213 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -95.66 149.84 21.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.392 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -57.02 -37.83 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.492 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.606 ' HD2' ' CZ ' ' B' ' 852' ' ' PHE . 14.3 ptp180 -59.98 -38.34 82.29 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.567 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.6 tpt -65.52 -44.07 88.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.33 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.35 -40.76 95.46 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.75 -39.16 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.935 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.08 -46.55 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.197 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 625' ' ' MET . 3.9 t -61.82 -36.88 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.259 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.29 89.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.026 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.84 -46.58 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.934 174.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.29 95.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.053 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -64.55 -48.98 73.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -65.13 -46.68 79.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.619 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.564 ' O ' ' HG2' ' A' ' 639' ' ' MET . 70.9 t -59.33 -40.91 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.454 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.8 -39.98 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.886 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -48.66 71.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.59 -39.0 89.62 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.788 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.564 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -63.0 -50.43 70.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.944 -178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -63.63 -40.94 98.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.948 0.404 . . . . 0.0 110.469 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.808 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 12.4 m -94.51 -22.46 18.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -172.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . 0.416 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.69 -63.27 1.19 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.416 ' HB3' ' O ' ' A' ' 643' ' ' ALA . 9.8 t30 75.24 -21.47 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.803 0.689 . . . . 0.0 111.495 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 643' ' ' ALA . 1.7 m -144.53 150.54 37.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -177.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -65.18 -43.54 91.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 111.353 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.59 -45.14 89.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.48 -37.1 86.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.976 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.5 -50.64 71.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.684 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.692 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 76.1 t80 -66.33 -44.35 83.57 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -57.71 -42.99 84.89 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.228 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.95 -44.4 89.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 110.027 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.68 -40.79 88.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.861 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.35 93.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 111.13 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.612 ' OE1' HD23 ' C' ' 128' ' ' LEU . 31.0 tt0 -65.45 -39.92 92.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.212 0.529 . . . . 0.0 110.498 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.555 ' HZ1' ' HB3' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -64.57 -42.63 95.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.894 -176.035 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.4 pt -64.6 -38.58 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.646 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 55.9 t80 -64.84 -40.21 94.81 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.392 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.351 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.578 HG12 ' CD1' ' B' ' 845' ' ' LEU . 88.9 mt -65.15 -46.22 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.438 0.637 . . . . 0.0 110.206 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -52.38 -43.48 64.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.405 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.646 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 28.8 mtpp -63.72 -42.28 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.556 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.645 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 53.4 mt -62.56 -41.54 98.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.317 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.17 -44.6 83.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.795 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.33 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.525 ' HB3' ' HG ' ' B' ' 854' ' ' LEU . 38.9 mmtm -64.43 -38.14 89.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.525 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -66.95 -23.32 65.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.906 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -51.51 -43.02 62.14 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.578 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 33.2 t -83.3 -57.8 3.11 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.258 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.502 ' HD2' ' HB3' ' B' ' 854' ' ' LEU . 67.5 mtt180 -64.94 73.49 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 175.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.143 175.465 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 121.353 0.597 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -124.48 39.82 3.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.105 0.479 . . . . 0.0 110.324 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 80.47 76.34 1.02 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.998 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -93.31 12.22 25.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.887 0.375 . . . . 0.0 111.18 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 1.4 mt -123.82 148.86 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.578 ' CD1' HG12 ' A' ' 660' ' ' ILE . 3.3 mp -92.06 154.85 43.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.584 0.231 . . . . 0.0 110.787 -175.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.17 155.2 66.48 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.397 2.065 . . . . 0.0 110.912 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.1 m -54.81 -42.31 71.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.51 -40.94 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -172.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.93 -45.36 97.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.459 ' HA ' ' HE3' ' B' ' 850' ' ' MET . 13.6 mmt -65.84 -40.32 91.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . 0.433 ' HA ' HH22 ' A' ' 671' ' ' ARG . 2.2 m-20 -55.5 -47.84 75.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.737 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.606 ' CZ ' ' HD2' ' A' ' 624' ' ' ARG . 6.2 t80 -65.74 -50.24 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.666 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 611' ' ' ILE . 4.9 p -62.09 -39.92 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.414 -168.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.525 ' HG ' ' HB3' ' A' ' 667' ' ' LYS . 3.6 mm? -64.99 -36.0 82.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.341 175.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.78 -18.73 63.14 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -98.08 134.15 41.56 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 25.5 m -147.31 97.17 4.11 Favored Pre-proline 0 C--N 1.32 -0.687 0 O-C-N 122.282 -0.261 . . . . 0.0 110.483 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 123.066 2.511 . . . . 0.0 112.173 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 CA--C 1.52 -0.206 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.9 m -72.07 -30.34 65.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.421 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.25 -56.6 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.192 0.52 . . . . 0.0 109.902 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 76.3 p -87.38 39.52 0.87 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.783 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 16.9 t70 -60.04 -47.58 85.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.171 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 43.2 t -58.46 -49.59 76.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.552 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -62.02 -48.24 81.16 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 49.9 pttt -60.9 -43.58 98.32 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.385 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.697 ' O ' HG12 ' C' ' 127' ' ' ILE . 23.4 ttm180 -57.25 -46.73 82.75 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.251 175.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -55.75 -41.52 74.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.646 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -57.15 -41.12 78.55 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.732 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.697 HG12 ' O ' ' C' ' 124' ' ' ARG . 3.1 pt -63.42 -40.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.736 -175.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.612 HD23 ' OE1' ' A' ' 655' ' ' GLU . 2.2 mm? -56.79 -38.9 73.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.013 0.435 . . . . 0.0 110.716 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' SER . . . . . 0.413 ' HA ' HH21 ' C' ' 135' ' ' ARG . 8.2 t -58.85 -17.31 22.66 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -133.96 45.56 2.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.761 0.791 . . . . 0.0 109.933 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 1.8 mmp_? -111.2 103.96 55.57 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.409 175.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.412 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 51.7 Cg_exo -55.54 -52.28 7.98 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.46 2.774 . . . . 0.0 113.21 -175.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.401 ' HB3' ' CB ' ' C' ' 131' ' ' ARG . 80.2 t80 -59.33 -47.62 84.73 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.378 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . 0.413 HH21 ' HA ' ' C' ' 129' ' ' SER . 17.6 mmt85 -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.112 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 33.7 mtmm -59.87 -55.0 39.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.245 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 33.8 pt -67.9 -33.59 62.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.075 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . . . . . . . . . 9.1 tp -62.39 -50.13 72.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.67 0.272 . . . . 0.0 110.394 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -66.74 -50.67 62.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.816 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.64 -51.23 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.692 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 48.0 tp -64.96 -42.11 94.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.898 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 81.1 p -76.06 -9.55 58.71 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 122.307 -0.246 . . . . 0.0 111.492 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 t -67.01 -12.15 59.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -162.53 67.38 0.23 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.764 0.316 . . . . 0.0 111.216 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.461 ' HB3' HD13 ' A' ' 599' ' ' LEU . . . -60.26 116.91 19.66 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.163 173.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . 0.546 ' HB2' ' CG ' ' A' ' 602' ' ' HIS . 12.4 Cg_exo -65.25 140.2 63.47 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.217 1.945 . . . . 0.0 111.002 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.606 ' HA2' ' OD2' ' A' ' 598' ' ' ASP . . . 171.62 83.24 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.84 -1.171 . . . . 0.0 113.708 -173.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 9.5 t -148.41 113.65 3.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 122.721 2.281 . . . . 0.0 111.732 177.521 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 112.211 -0.355 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.51 126.37 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.73 135.04 17.01 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -160.32 87.72 0.78 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -150.14 65.2 0.38 Allowed Glycine 0 N--CA 1.436 -1.335 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.44 ' CD1' ' N ' ' A' ' 591' ' ' TRP . 2.9 m0 -77.17 -25.92 52.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 640' ' ' TYR . 26.1 p80 -64.51 -10.31 24.77 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.844 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -61.32 -12.6 14.41 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.74 0.305 . . . . 0.0 111.726 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -81.93 -11.94 58.65 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.6 133.79 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 51.0 p -100.23 169.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 111.458 -173.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.49 94.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.556 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 18.5 t70 -60.13 -50.29 74.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 41.9 tp -57.38 -44.74 84.7 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.63 ' O ' HG21 ' A' ' 604' ' ' VAL . 0.1 OUTLIER -57.16 -44.74 83.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.228 178.269 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 29.0 m -61.65 -41.97 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.279 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.556 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 43.1 m-70 -64.9 -38.83 92.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.152 0.501 . . . . 0.0 110.314 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.19 -43.14 87.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.556 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.63 HG21 ' O ' ' A' ' 600' ' ' ARG . 4.6 t -55.67 -39.84 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.875 0.369 . . . . 0.0 110.563 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -56.98 -39.22 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -62.37 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.61 82.03 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.54 -47.55 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.463 173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -54.71 -39.89 68.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.21 0.529 . . . . 0.0 110.688 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.25 83.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.09 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 43.5 mt -94.42 -41.57 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 -174.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.95 85.81 45.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.7 -38.26 41.31 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.732 2.288 . . . . 0.0 113.094 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.3 t -143.26 87.25 8.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.908 0.385 . . . . 0.0 111.592 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.06 145.77 19.7 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.395 2.064 . . . . 0.0 111.665 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -69.5 156.15 92.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.746 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -50.59 -44.46 40.07 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.233 . . . . 0.0 111.914 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.64 -21.43 55.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.075 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.87 -38.67 64.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 110.674 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.49 -33.52 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -96.31 14.3 24.72 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.84 0.352 . . . . 0.0 111.297 -177.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 10.3 t70 -96.34 143.17 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . 0.495 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 31.4 mmt180 -56.69 -36.19 69.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.568 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.534 HH21 ' HB2' ' B' ' 852' ' ' PHE . 23.8 mmm180 -60.81 -46.04 92.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 110.505 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 16.4 tpt -65.95 -41.69 90.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.984 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.495 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 52.3 mt-10 -59.58 -40.57 87.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.122 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -59.0 -38.82 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.73 -45.99 90.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.31 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.4 -38.77 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.862 0.363 . . . . 0.0 110.229 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.79 92.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.456 0.646 . . . . 0.0 110.0 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.797 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.188 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -59.47 -50.1 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.525 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.558 ' HZ3' ' HB3' ' A' ' 634' ' ' LYS . 0.6 OUTLIER -66.03 -42.07 90.09 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.32 -177.546 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.62 -44.91 97.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 111.147 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -62.1 -40.19 95.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.009 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.68 93.67 Favored Glycine 0 CA--C 1.507 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.437 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.7 -40.03 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.153 0.501 . . . . 0.0 110.194 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.587 ' SD ' HD21 ' A' ' 653' ' ' LEU . 34.8 mtt -66.27 -49.74 66.11 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.248 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.483 ' CE1' ' HB2' ' A' ' 592' ' ' HIS . 33.1 t80 -60.71 -40.86 93.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.162 -172.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.81 -39.36 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.663 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.4 m -94.12 -23.53 17.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.662 -174.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -57.59 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.86 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 591' ' ' TRP . 67.2 t30 57.12 16.94 3.2 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 14.8 m -154.33 149.5 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -64.99 -49.18 71.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.917 0.389 . . . . 0.0 111.004 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.24 -43.07 92.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.32 -39.15 89.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.263 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.04 -47.99 83.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.874 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.586 ' HH ' ' N ' ' C' ' 142' ' ' SER . 94.8 t80 -64.44 -40.57 95.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -64.41 -39.64 94.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.36 -38.28 90.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.629 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.587 HD21 ' SD ' ' A' ' 639' ' ' MET . 35.0 mt -55.36 -43.82 75.41 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.312 174.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.406 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -64.1 -39.41 93.99 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.138 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.722 ' OE1' HD22 ' C' ' 128' ' ' LEU . 14.6 tp10 -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.463 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.521 ' HG3' ' HE3' ' A' ' 639' ' ' MET . 35.2 mmtp -66.76 -46.47 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.421 -177.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.4 pt -63.54 -37.64 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.888 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -62.09 -42.2 98.97 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.655 0.264 . . . . 0.0 110.445 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.45 ' HD2' HG12 ' B' ' 844' ' ' ILE . 19.8 ttmm -55.95 -50.6 70.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.966 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 35.5 mt -67.31 -51.76 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.883 -176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.15 -45.11 79.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.524 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 662' ' ' LYS . 0.0 OUTLIER -62.79 -44.71 95.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.533 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.13 -39.87 93.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.21 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.58 -40.25 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.714 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -64.23 -49.22 72.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.468 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -38.91 92.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.67 -44.69 96.18 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.401 0.28 . . . . 0.0 111.201 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 671' ' ' ARG . 34.8 ttm180 -76.98 -27.28 54.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.175 0.512 . . . . 0.0 110.094 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -64.53 -39.76 94.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.414 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 36.8 t -94.3 3.22 55.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 668' ' ' ARG . 3.0 tmt_? -35.8 102.67 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.331 1.019 . . . . 0.0 112.178 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 34.3 tp . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.59 177.794 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.835 0.35 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -73.79 93.49 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.967 0.413 . . . . 0.0 109.94 175.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 95.03 82.04 1.57 Allowed Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.556 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.401 ' N ' HD21 ' B' ' 843' ' ' ASN . 0.9 OUTLIER -69.54 -29.44 67.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.548 -0.326 . . . . 0.0 110.935 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . 0.45 HG12 ' HD2' ' A' ' 659' ' ' LYS . 1.2 tp -134.74 157.6 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -172.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.56 ' HB2' ' SD ' ' B' ' 850' ' ' MET . 1.1 mp -75.58 137.54 70.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.343 -165.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.56 -178.17 4.09 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.97 2.446 . . . . 0.0 112.735 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.9 m -55.5 -40.67 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.55 -49.52 67.48 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.19 -44.2 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.111 0.482 . . . . 0.0 110.912 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.56 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -62.27 -41.98 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.922 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -58.93 -37.85 77.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.918 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.534 ' HB2' HH21 ' A' ' 624' ' ' ARG . 47.7 t80 -61.7 -50.59 71.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.188 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.72 -39.02 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.42 -37.27 85.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -58.18 -43.79 87.68 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.367 -172.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -100.39 135.31 42.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.17 0.509 . . . . 0.0 110.101 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 19.1 m -131.17 124.38 20.38 Favored Pre-proline 0 C--N 1.318 -0.782 0 O-C-N 122.197 -0.315 . . . . 0.0 110.542 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--O 1.247 0.974 0 C-N-CA 122.585 2.19 . . . . 0.0 112.193 179.373 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 20.9 t -100.59 -34.66 9.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 62.9 t -65.4 -57.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.686 0.279 . . . . 0.0 110.263 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 63.2 p -95.91 46.13 1.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.405 0.622 . . . . 0.0 110.008 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.13 -47.05 84.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.946 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 34.3 t -56.42 -49.27 75.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.297 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.04 -47.23 85.64 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.597 0.237 . . . . 0.0 111.041 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -62.53 -48.68 78.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.857 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.662 ' O ' HG12 ' C' ' 127' ' ' ILE . 24.0 ttm180 -56.27 -47.75 77.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -57.24 -42.52 81.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.623 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.14 -39.67 72.64 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.171 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.662 HG12 ' O ' ' C' ' 124' ' ' ARG . 4.0 pt -63.22 -41.7 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.419 -173.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.722 HD22 ' OE1' ' A' ' 655' ' ' GLU . 2.9 mm? -59.18 -41.13 87.73 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 88.0 p -56.57 -35.08 67.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.746 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -144.75 68.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.388 0.613 . . . . 0.0 109.9 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.54 ' CZ ' ' HB2' ' C' ' 134' ' ' TYR . 4.8 ttp180 -113.6 120.47 39.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -55.59 -36.52 94.74 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.114 2.542 . . . . 0.0 113.173 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . 0.508 ' P ' ' HE ' ' C' ' 131' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.54 ' HB2' ' CZ ' ' C' ' 131' ' ' ARG . 82.3 t80 -61.26 -41.82 97.57 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . 0.424 ' NH2' HD21 ' C' ' 138' ' ' LEU . 6.2 tpm_? -56.41 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.02 -56.03 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.916 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.2 pt -66.35 -33.89 66.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.133 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.541 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 10.4 tp -60.55 -41.0 93.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.863 0.84 . . . . 0.0 110.432 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.3 -52.82 56.64 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.117 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.67 -49.52 62.37 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.531 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 21.4 tp -60.81 -36.39 78.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.397 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.586 ' N ' ' HH ' ' A' ' 650' ' ' TYR . 25.6 p -72.28 -0.02 11.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 39.7 t -49.49 -74.19 0.03 OUTLIER 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -160.35 36.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 8.06 80.07 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.035 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -171.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.92 157.71 57.79 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.747 2.298 . . . . 0.0 111.816 171.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.566 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . 163.21 -155.74 27.22 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 -175.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.566 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 0.9 OUTLIER 146.06 -52.43 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.716 0 O-C-N 125.435 1.315 . . . . 0.0 109.271 176.104 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo . . . . . 0 C--O 1.248 0.989 0 C-N-CA 122.04 1.826 . . . . 0.0 110.636 170.254 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.522 0 N-CA-C 112.261 -0.336 . . . . 0.0 112.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 6.5 m -65.51 102.47 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.489 0.661 . . . . 0.0 111.151 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -178.99 -69.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.251 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -163.49 62.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.0 109.583 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -91.46 9.98 75.9 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.931 -176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.404 ' HB3' ' O ' ' A' ' 644' ' ' ASN . 6.4 m95 -54.3 -54.69 36.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.049 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -66.72 -9.58 37.89 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -84.99 -25.32 27.8 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.861 -172.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -83.61 -10.41 58.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.752 0.311 . . . . 0.0 110.591 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.415 HG11 HD22 ' A' ' 599' ' ' LEU . 84.9 t -116.24 111.93 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.514 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 32.1 p -96.26 166.46 11.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.959 -172.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.409 ' H ' ' NE2' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -57.3 -40.02 76.97 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 179.631 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.35 -46.85 88.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.415 HD22 HG11 ' A' ' 595' ' ' VAL . 28.6 tp -57.73 -43.61 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 596' ' ' THR . 45.8 mtt180 -65.48 -49.11 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.338 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 27.7 m -57.51 -38.69 75.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.144 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.506 ' NE2' HG21 ' C' ' 148' ' ' VAL . 9.0 m170 -61.84 -43.54 98.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.189 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.409 HD23 ' HD3' ' A' ' 606' ' ' LYS . 16.8 mt -65.78 -40.54 92.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.991 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.5 -41.72 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 176.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -62.66 -40.88 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.095 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.609 ' HZ3' HD12 ' C' ' 141' ' ' LEU . 28.1 mtpp -63.84 -38.68 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.996 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -42.76 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.67 -49.23 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.225 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -56.92 -36.89 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.128 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.26 -39.02 74.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.885 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 21.9 mt -92.44 -38.36 10.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.92 86.58 42.83 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.21 -37.74 89.84 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.79 2.327 . . . . 0.0 113.872 -171.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.6 t -161.81 94.32 1.32 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 121.293 0.568 . . . . 0.0 111.852 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -84.14 164.67 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.892 2.394 . . . . 0.0 112.31 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.2 155.15 54.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_endo -47.39 -43.81 26.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.21 2.607 . . . . 0.0 113.491 -175.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.17 -30.97 71.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.475 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.03 64.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.77 -31.5 71.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.653 -176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -91.66 6.11 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.928 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.67 151.56 19.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 111.364 -172.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -39.63 94.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.611 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -64.18 -42.54 96.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.042 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -66.08 -39.77 90.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.186 0.517 . . . . 0.0 110.177 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.68 -40.51 72.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.665 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -60.08 -36.34 77.16 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.715 0.293 . . . . 0.0 110.767 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.09 -43.23 99.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.72 -37.38 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.139 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.307 0.575 . . . . 0.0 109.601 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -61.35 -43.48 98.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.144 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.06 0.457 . . . . 0.0 110.329 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.57 -46.84 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.181 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -64.04 -44.48 92.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.811 0.339 . . . . 0.0 110.989 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 639' ' ' MET . 69.0 t -59.16 -41.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.81 -39.02 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.12 92.67 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.877 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.73 -38.3 88.79 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.965 0.412 . . . . 0.0 110.89 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.9 mmt -64.34 -51.68 62.16 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.039 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.61 -38.46 87.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.846 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.73 -39.36 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.958 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.3 p -95.38 -27.96 15.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.96 -67.85 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 591' ' ' TRP . 9.3 t30 71.92 -9.25 1.0 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.038 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 26.6 m -153.45 154.33 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.632 -0.667 . . . . 0.0 109.643 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.5 -45.84 88.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.623 0.249 . . . . 0.0 110.948 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -64.14 -40.23 95.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.058 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -64.3 -40.31 95.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.435 . . . . 0.0 110.798 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.333 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.707 ' HH ' ' N ' ' C' ' 142' ' ' SER . 56.4 t80 -64.9 -40.94 95.87 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.048 0.452 . . . . 0.0 110.557 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . 0.407 ' O ' ' HG3' ' A' ' 655' ' ' GLU . 79.8 t60 -62.0 -42.85 99.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.761 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.31 -46.13 84.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 110.735 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.05 -39.68 90.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.578 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.94 74.03 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.923 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 651' ' ' HIS . 38.5 mt-10 -65.69 -42.5 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.932 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.36 -46.83 75.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.5 pt -63.75 -37.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.637 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -63.85 -40.82 97.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.51 ' HD3' HG12 ' B' ' 844' ' ' ILE . 20.9 ttmm -56.09 -50.97 69.54 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.113 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.466 HD13 HD11 ' B' ' 845' ' ' LEU . 44.2 mt -65.72 -49.58 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.292 0.567 . . . . 0.0 110.401 -177.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -53.93 -48.95 69.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.054 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -64.53 -43.96 92.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.97 -48.2 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.952 -177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.67 -40.58 92.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.8 -48.69 68.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.727 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -38.52 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.885 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.89 -40.03 72.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -76.78 -33.07 58.07 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -66.35 -52.65 44.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.453 -176.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.2 p -96.17 -6.47 38.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 111.446 -175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 70.77 123.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.582 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.012 176.819 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -92.63 53.67 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.502 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 93.36 105.44 1.74 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.048 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -91.7 15.41 12.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.844 0.354 . . . . 0.0 110.461 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . 0.51 HG12 ' HD3' ' A' ' 659' ' ' LYS . 1.1 mt -98.8 152.32 4.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.74 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.466 HD11 HD13 ' A' ' 660' ' ' ILE . 4.0 mp -93.66 148.45 35.43 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.494 -175.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.48 159.02 29.16 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.817 2.344 . . . . 0.0 112.239 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.8 t -55.25 -47.11 75.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.208 0.317 . . . . 0.0 111.056 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.82 -45.6 74.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.905 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.34 -46.03 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.379 0.609 . . . . 0.0 109.914 -178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.438 ' HA ' ' HE1' ' B' ' 850' ' ' MET . 6.3 mmt -65.82 -40.09 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.312 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.56 -38.01 83.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.2 -49.49 75.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.406 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.405 HG11 ' O ' ' B' ' 850' ' ' MET . 11.4 p -65.17 -39.0 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.834 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.433 HD23 ' O ' ' B' ' 850' ' ' MET . 3.3 mm? -55.83 -37.16 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.681 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . 0.433 ' HD3' ' HA ' ' B' ' 855' ' ' LYS . 6.0 mmtp -98.44 19.31 14.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.24 128.19 44.24 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 25.2 m -148.79 115.29 3.77 Favored Pre-proline 0 C--N 1.319 -0.742 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.076 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.662 2.241 . . . . 0.0 111.269 174.551 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.1 m -80.4 -26.91 38.24 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.697 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.58 -52.62 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.095 0.474 . . . . 0.0 109.848 173.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 76.4 p -83.21 35.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.116 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 24.1 t70 -61.36 -46.97 87.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.686 0.279 . . . . 0.0 110.527 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 7.7 t -59.68 -49.03 79.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.723 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -58.95 -47.84 83.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.5 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 9.5 ptmm? -63.74 -42.97 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.235 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.623 ' O ' HG12 ' C' ' 127' ' ' ILE . 5.5 tmm_? -57.35 -42.13 81.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.351 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -62.36 -42.75 99.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.099 0.475 . . . . 0.0 110.792 177.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -55.13 -38.65 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.816 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.623 HG12 ' O ' ' C' ' 124' ' ' ARG . 4.5 pt -57.14 -38.79 62.88 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 121.201 -0.2 . . . . 0.0 110.737 -175.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.456 HD22 HG12 ' C' ' 127' ' ' ILE . 2.3 mm? -62.2 -41.27 98.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 -177.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 50.6 m -57.81 -23.89 54.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.819 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.08 55.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.239 0.543 . . . . 0.0 109.913 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.527 ' HB3' ' HB3' ' C' ' 134' ' ' TYR . 7.2 tpt180 -113.6 113.15 48.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.639 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 35.3 Cg_exo -57.89 -59.3 0.57 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.583 2.856 . . . . 0.0 114.04 -174.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.527 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 19.4 t80 -59.34 -47.57 84.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 178.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -63.62 -41.78 98.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.756 0.312 . . . . 0.0 110.736 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.76 -44.05 81.37 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.298 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 37.4 pt -76.72 -36.37 26.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.588 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.06 -48.62 75.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.605 -177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -65.18 -50.75 64.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.26 -44.74 82.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.401 0.619 . . . . 0.0 112.289 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.67 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 18.1 tp -62.25 -39.24 92.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.554 -172.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.707 ' N ' ' HH ' ' A' ' 650' ' ' TYR . 4.9 p -71.55 -1.02 12.0 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 143' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' C' ' 144' ' ' ASP . 45.5 m -61.98 -28.4 69.53 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -171.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' C' ' 143' ' ' SER . 27.5 t70 171.01 78.77 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.949 0.795 . . . . 0.0 111.12 -171.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -33.81 93.42 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.67 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . 0.415 ' HD2' ' HD2' ' A' ' 606' ' ' LYS . 6.4 Cg_exo -72.9 129.67 14.63 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.826 3.017 . . . . 0.0 113.272 176.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.605 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -163.06 -117.16 0.41 Allowed Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.071 -1.061 . . . . 0.0 112.08 167.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.605 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 5.5 t 84.37 105.89 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.554 0 C-N-CA 123.583 0.753 . . . . 0.0 110.697 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.247 0.959 0 C-N-CA 122.795 2.33 . . . . 0.0 112.176 179.475 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.75 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.91 82.98 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 122.135 0.969 . . . . 0.0 109.732 172.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -79.56 118.59 21.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.703 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.668 ' NZ ' ' HA ' ' A' ' 641' ' ' GLU . 38.1 ttmt -154.1 80.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.225 -177.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.65 -4.93 89.89 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.228 -174.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -58.01 -18.65 25.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.689 0.281 . . . . 0.0 111.21 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -67.94 -13.95 62.58 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.694 0.283 . . . . 0.0 111.31 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.03 -36.52 82.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -90.78 -17.18 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.897 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.7 t -94.0 122.18 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 38.0 p -105.56 170.4 7.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.46 -40.51 78.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 0.0 110.27 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.82 -50.02 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' C' ' 147' ' ' GLY . 45.6 tp -62.99 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.633 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.435 ' HE ' ' CD ' ' A' ' 636' ' ' GLU . 58.2 ttt180 -64.47 -50.2 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 57.3 m -59.12 -38.38 79.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.342 . . . . 0.0 111.245 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.09 -46.33 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.583 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.9 t -62.14 -40.67 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-O 121.153 0.501 . . . . 0.0 110.139 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -58.62 -40.6 83.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.422 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -60.82 -37.87 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.174 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.65 -46.13 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.43 -41.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -54.01 -37.81 64.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.246 0.546 . . . . 0.0 110.633 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.35 69.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.406 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.51 ' O ' HG23 ' B' ' 853' ' ' VAL . 49.4 mt -98.56 -44.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.979 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.85 88.0 47.4 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.79 -33.53 64.79 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 122.891 2.394 . . . . 0.0 113.512 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.7 t -156.82 95.32 2.22 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.337 0.589 . . . . 0.0 111.483 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.95 155.92 20.2 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.075 2.517 . . . . 0.0 111.742 174.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.519 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.5 p-10 -92.54 163.25 27.06 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 1.0 OUTLIER -43.15 -41.47 9.6 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.368 2.712 . . . . 0.0 114.001 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.13 65.31 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.859 -0.526 . . . . 0.0 111.719 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.58 -42.91 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 110.472 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.7 mt -57.24 -39.98 76.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.825 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 617' ' ' PRO . 13.7 pttm -94.01 15.51 16.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.914 0.388 . . . . 0.0 111.489 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.67 143.63 27.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.923 0.392 . . . . 0.0 110.263 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.83 -37.41 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.621 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -61.07 -39.87 91.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.407 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.544 ' O ' HG22 ' A' ' 629' ' ' VAL . 17.2 tpt -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.936 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -59.5 -40.93 88.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -62.98 -38.61 91.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.969 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.89 -49.64 75.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 625' ' ' MET . 2.9 t -60.09 -36.96 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -64.24 -40.56 96.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.645 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.84 94.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 0.0 109.829 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 636' ' ' GLU . 12.6 tmtt? -62.27 -49.58 75.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.261 -177.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -64.19 -39.55 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.165 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.0 t -58.35 -40.32 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-O 120.772 0.32 . . . . 0.0 110.464 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 9.3 tt0 -54.5 -43.3 71.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.92 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.28 -49.73 55.33 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.783 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -38.95 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.05 0.452 . . . . 0.0 110.565 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.47 ' HE1' ' HA ' ' A' ' 636' ' ' GLU . 24.2 ttp -64.09 -47.42 80.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.761 178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.29 -40.6 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.053 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.668 ' HA ' ' NZ ' ' A' ' 589' ' ' LYS . 30.9 mm-40 -68.22 -46.02 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.111 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.3 m -83.88 -30.21 26.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -169.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.15 -71.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.4 t30 54.62 19.46 2.46 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 36.9 m -159.78 158.34 30.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -66.2 -51.26 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.949 0.404 . . . . 0.0 111.302 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.051 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.28 -38.41 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.038 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.11 -50.69 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.44 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.576 ' CE1' ' HB3' ' C' ' 142' ' ' SER . 52.5 t80 -67.94 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.096 0.474 . . . . 0.0 110.724 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -56.01 -41.86 75.56 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.484 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.45 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.124 -176.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.469 ' O ' HG12 ' A' ' 657' ' ' ILE . 72.9 mt -63.92 -41.66 97.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.42 80.9 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.129 0.49 . . . . 0.0 110.484 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 31.8 tt0 -62.32 -49.78 74.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.66 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.532 ' O ' HG13 ' A' ' 660' ' ' ILE . 2.7 tpmt? -65.7 -47.73 74.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.625 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 653' ' ' LEU . 44.1 pt -64.32 -37.57 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.844 -175.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.18 -49.19 70.76 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.463 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.553 ' HB3' ' HZ3' ' A' ' 659' ' ' LYS . 0.3 OUTLIER -64.29 -36.92 85.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 656' ' ' LYS . 67.7 mt -62.41 -51.52 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.476 0.655 . . . . 0.0 109.308 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.574 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 8.0 tt0 -57.01 -45.67 82.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.86 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -61.64 -41.01 96.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.643 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -62.79 -43.72 98.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.003 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.29 -40.38 81.78 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.005 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 49.3 mt-10 -63.83 -50.32 69.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.875 0.369 . . . . 0.0 110.635 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -40.03 94.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.03 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -63.06 -40.59 98.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 110.649 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -72.57 -36.43 68.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.493 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -74.67 -26.27 59.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.128 -174.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 6.0 p -89.21 -0.07 57.16 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -31.65 111.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.42 1.075 . . . . 0.0 112.928 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 672' ' ' LEU . 2.5 pt? . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.013 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.788 0.328 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -133.92 14.01 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.299 0.571 . . . . 0.0 109.804 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 87.99 166.75 42.71 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.918 -176.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -84.23 52.47 2.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.174 0.511 . . . . 0.0 110.239 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . 0.48 HD13 HG12 ' A' ' 660' ' ' ILE . 5.1 tp -139.06 156.15 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.825 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.12 134.84 73.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 0.0 111.051 -163.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.93 -174.85 2.41 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.956 2.437 . . . . 0.0 112.897 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.1 m -56.39 -39.95 73.82 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -53.1 -51.74 60.89 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.96 -46.8 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 111.342 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.457 ' HA ' ' HE1' ' B' ' 850' ' ' MET . 29.5 mmt -64.18 -41.3 97.16 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -174.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.04 -38.04 89.61 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.15 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.1 -49.68 76.1 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.067 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 611' ' ' ILE . 8.0 p -65.61 -38.52 82.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.245 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.415 HD21 ' O ' ' B' ' 850' ' ' MET . 3.4 mm? -62.12 -37.83 86.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.745 0.307 . . . . 0.0 110.68 175.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -70.71 -38.1 73.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.136 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -92.42 127.12 37.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 34.8 m -144.33 127.43 8.66 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.355 -176.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 122.886 2.391 . . . . 0.0 111.624 175.28 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.223 -0.301 0 CA-C-O 120.583 0.23 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.4 m -61.38 -27.66 68.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.009 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.5 -65.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.923 0.392 . . . . 0.0 110.946 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 81.8 p -97.01 45.23 1.04 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.154 0.502 . . . . 0.0 110.628 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.12 -47.7 82.48 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.587 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 32.7 t -61.45 -52.19 65.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.235 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -48.94 79.59 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 176.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . 0.403 ' O ' HG21 ' C' ' 127' ' ' ILE . 22.6 mtpp -63.13 -48.05 80.16 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.414 ' O ' ' HD3' ' C' ' 124' ' ' ARG . 0.0 OUTLIER -53.5 -48.33 69.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -64.33 -43.88 93.26 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.229 0.538 . . . . 0.0 110.356 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -55.82 -44.58 78.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.75 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -62.95 -40.63 89.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.504 -175.673 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' C' ' 134' ' ' TYR . 2.0 mm? -65.21 -44.71 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.12 0.486 . . . . 0.0 110.053 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.8 m -58.05 -36.09 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.253 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -116.39 48.16 1.31 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.606 0.717 . . . . 0.0 109.878 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 8.3 tpt180 -113.95 106.01 53.84 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.659 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.45 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 18.1 Cg_endo -58.88 -27.27 83.84 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.297 1.998 . . . . 0.0 112.166 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . 0.565 ' O1P' ' HG3' ' C' ' 131' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.57 ' CB ' ' HB3' ' C' ' 131' ' ' ARG . 57.8 t80 -60.05 -44.56 94.61 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.274 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -58.11 -42.13 85.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.224 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 63.3 mttp -63.48 -55.88 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.198 0.523 . . . . 0.0 111.078 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.1 pt -70.43 -21.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.593 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' C' ' 134' ' ' TYR . 15.0 tp -62.15 -41.91 98.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 177.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -66.97 -48.91 67.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.187 169.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.5 -49.81 69.85 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.509 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 28.6 tp -60.54 -41.33 94.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -171.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.576 ' HB3' ' CE1' ' A' ' 650' ' ' TYR . 2.6 p -70.89 -35.24 72.23 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.881 -172.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 37.7 m 39.37 31.75 0.07 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 123.55 0.531 . . . . 0.0 111.936 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 33.8 t70 64.04 68.68 0.56 Allowed 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -174.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -43.07 98.64 0.19 Allowed Pre-proline 0 N--CA 1.48 1.047 0 O-C-N 124.352 1.032 . . . . 0.0 112.757 -170.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.08 127.05 13.81 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.52 2.147 . . . . 0.0 112.362 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 599' ' ' LEU . . . 150.93 81.55 0.03 OUTLIER Glycine 0 C--O 1.228 -0.228 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.563 167.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' C' ' 149' ' ' PRO . 11.6 t -159.83 130.76 3.76 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' C' ' 148' ' ' VAL . 7.2 Cg_exo . . . . . 0 C--O 1.245 0.871 0 C-N-CA 122.483 2.122 . . . . 0.0 111.652 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 CA-C-O 120.068 -0.296 . . . . 0.0 113.505 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.49 87.13 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 CA-C-N 117.426 0.613 . . . . 0.0 110.857 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -135.62 85.17 2.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.845 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -151.45 60.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.462 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -106.91 7.8 38.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.754 . . . . 0.0 113.095 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -15.17 61.76 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.472 -0.428 . . . . 0.0 111.936 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -80.91 1.43 30.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.091 0.472 . . . . 0.0 110.731 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -87.77 -13.28 42.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.923 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -86.06 0.06 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.011 0.434 . . . . 0.0 110.12 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.8 t -97.21 120.54 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.709 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.0 p -101.2 172.17 7.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -60.19 -38.41 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.14 -48.57 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.369 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.28 -40.65 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.535 ' O ' HG21 ' A' ' 604' ' ' VAL . 70.8 mtp180 -63.96 -49.2 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.512 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 16.2 m -55.64 -41.57 73.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.649 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' C' ' 146' ' ' PRO . 32.3 m80 -65.35 -40.36 93.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.889 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.13 -49.89 68.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.535 HG21 ' O ' ' A' ' 600' ' ' ARG . 1.3 t -65.16 -43.68 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.867 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -60.0 -48.7 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.284 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -63.1 -35.26 79.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.01 -44.5 82.86 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.97 -48.17 87.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.272 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -55.19 -35.92 65.36 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.955 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -54.69 -38.02 66.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.484 HD11 ' CD1' ' B' ' 845' ' ' LEU . 40.9 mt -94.34 -39.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.543 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -117.83 89.77 34.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.94 -39.69 58.98 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.541 2.161 . . . . 0.0 112.552 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -150.62 80.25 6.93 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.94 145.55 50.65 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.229 1.952 . . . . 0.0 111.346 177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.417 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.3 p30 -83.19 155.35 66.94 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 5.0 Cg_endo -46.2 -43.82 20.51 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.235 2.623 . . . . 0.0 113.309 -176.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.64 -17.39 51.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 111.66 -175.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.89 -36.65 67.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.575 0.702 . . . . 0.0 110.116 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.36 -19.73 65.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.864 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 2.6 pptp? -97.51 7.58 46.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -97.11 144.94 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -64.55 -38.99 92.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.339 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -49.96 73.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.099 0.476 . . . . 0.0 110.344 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.2 tmt? -66.87 -40.76 87.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.23 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -39.37 70.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.757 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -55.68 -37.98 69.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 625' ' ' MET . 24.5 tp -59.71 -43.18 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.67 0.272 . . . . 0.0 110.385 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.14 -38.23 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.27 -42.91 92.75 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.141 0.496 . . . . 0.0 109.893 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -64.56 -40.78 96.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.903 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.54 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 5.5 tmmm? -65.14 -41.21 94.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.355 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 2.8 mmmp? -63.86 -44.06 94.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.394 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 34.2 t -55.78 -46.9 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.544 ' HA ' ' HE2' ' A' ' 639' ' ' MET . 17.9 tt0 -55.88 -41.28 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.43 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.47 57.87 Favored Glycine 0 C--N 1.328 0.121 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.906 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.0 -37.9 89.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.675 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.544 ' HE2' ' HA ' ' A' ' 636' ' ' GLU . 39.3 ttp -62.37 -46.58 88.02 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.978 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.483 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 6.6 m-85 -56.39 -35.4 67.69 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.64 -43.6 84.22 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.308 0.575 . . . . 0.0 110.877 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -90.2 -51.13 5.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.3 -171.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -51.08 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.094 0.557 . . . . 0.0 111.942 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 69.09 -17.55 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.3 m -133.75 158.31 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.931 -0.48 . . . . 0.0 110.001 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -66.21 -49.28 67.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.15 -45.33 88.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.184 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.33 -35.78 65.54 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.683 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -54.48 -52.16 62.77 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.462 0.574 . . . . 0.0 110.047 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.631 ' HE1' ' CD1' ' C' ' 138' ' ' LEU . 55.7 t80 -66.02 -44.32 85.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -58.14 -47.01 84.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.213 -175.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.77 -38.96 90.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.023 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.98 -44.57 88.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.047 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.11 -40.82 97.03 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.181 0.515 . . . . 0.0 110.561 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.669 ' OE1' HD23 ' C' ' 128' ' ' LEU . 10.8 tp10 -62.61 -46.51 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.097 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.558 ' HB2' ' HZ2' ' A' ' 656' ' ' LYS . 2.9 ttmp? -65.67 -50.42 65.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.596 -175.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.6 pt -63.02 -37.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.76 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -65.21 -47.23 77.61 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.123 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -64.23 -40.58 96.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 111.352 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.594 ' CD1' HD13 ' B' ' 845' ' ' LEU . 18.6 mt -69.4 -48.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.292 0.568 . . . . 0.0 110.279 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -55.96 -40.62 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.429 ' O ' ' HD3' ' A' ' 662' ' ' LYS . 9.2 tmtt? -58.55 -40.59 83.45 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.79 -40.85 96.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.467 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.95 -41.77 98.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.038 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.67 -45.18 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.209 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -39.63 88.12 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -64.56 -40.75 96.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.261 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -77.4 -48.34 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.354 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -70.52 -26.93 63.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.901 -171.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.8 t -92.11 8.61 37.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.799 0.333 . . . . 0.0 110.832 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 64.43 80.99 0.22 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.384 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.398 172.25 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.515 -0.38 0 CA-C-O 121.04 0.448 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.08 127.58 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.522 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . -89.06 -107.11 1.1 Allowed Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.816 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' ' 656' ' ' LYS . 1.0 OUTLIER -90.44 9.1 30.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -175.245 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 21.4 mt -130.21 128.21 64.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.594 HD13 ' CD1' ' A' ' 660' ' ' ILE . 2.4 mt -78.33 138.76 59.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 111.098 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -78.46 173.22 14.07 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.87 2.38 . . . . 0.0 113.144 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 8.6 p -55.32 -43.27 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.11 -48.91 70.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.45 -39.65 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.082 0.467 . . . . 0.0 110.214 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.448 ' HA ' ' HE3' ' B' ' 850' ' ' MET . 26.0 mmt -64.34 -43.45 94.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.99 -40.04 83.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.41 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.28 -49.96 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.239 0.337 . . . . 0.0 111.688 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 611' ' ' ILE . 12.3 p -65.42 -39.55 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.591 -177.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.84 -38.6 91.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 110.843 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -77.22 -41.14 42.44 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.67 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -92.35 128.88 38.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.511 . . . . 0.0 110.937 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 28.4 m -105.66 119.76 51.52 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.254 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 C--O 1.251 1.147 0 C-N-CA 122.318 2.012 . . . . 0.0 111.842 178.706 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.228 -0.064 0 CA-C-O 120.541 0.21 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.7 m -82.36 -28.82 31.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.241 0.543 . . . . 0.0 110.235 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -73.0 -56.74 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.343 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 74.3 p -94.62 33.76 1.4 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.992 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.52 -46.32 88.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.069 0.461 . . . . 0.0 110.297 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 19.6 t -60.2 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.011 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.34 -43.86 96.05 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.477 0.18 . . . . 0.0 110.788 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . 0.497 ' O ' HG23 ' C' ' 127' ' ' ILE . 35.6 mtpt -58.37 -48.57 80.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.998 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.682 ' O ' HG12 ' C' ' 127' ' ' ILE . 2.3 ttp-105 -56.72 -42.62 79.51 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.24 178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -59.3 -46.37 88.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.205 0.526 . . . . 0.0 110.262 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.99 -39.79 75.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.908 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.682 HG12 ' O ' ' C' ' 124' ' ' ARG . 7.6 pt -57.13 -39.12 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 117.6 0.182 . . . . 0.0 111.249 -170.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.669 HD23 ' OE1' ' A' ' 655' ' ' GLU . 2.8 mm? -55.29 -39.32 69.74 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.467 0.48 . . . . 0.0 110.702 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -56.0 -33.69 65.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.265 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -138.77 60.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.489 0.661 . . . . 0.0 109.558 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.635 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.7 103.72 55.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.481 -176.419 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -42.93 -66.02 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.866 3.044 . . . . 0.0 114.379 -172.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . 0.456 ' HA ' ' HD3' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.56 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 75.8 t80 -62.03 -43.51 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.434 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' C' ' 135' ' ' ARG . 39.5 ttp180 -60.85 -44.48 96.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.584 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' C' ' 133' ' ' SEP . 50.9 mtpt -56.24 -53.76 53.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.432 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.73 -32.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.631 ' CD1' ' HE1' ' A' ' 650' ' ' TYR . 8.6 tp -57.95 -46.03 85.71 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 110.689 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.39 -51.65 62.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.803 0.335 . . . . 0.0 111.878 176.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.71 -49.54 65.72 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.595 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 20.0 tp -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.265 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 75.1 p -77.16 -2.58 35.1 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 10.1 t -74.41 -1.71 22.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.43 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . 0.663 ' O ' ' HD3' ' C' ' 146' ' ' PRO . 39.0 t70 -171.75 80.94 0.07 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 120.922 0.391 . . . . 0.0 111.795 -176.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -92.94 91.13 0.48 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 162.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . 0.663 ' HD3' ' O ' ' C' ' 144' ' ' ASP . 21.5 Cg_exo -65.4 155.71 67.24 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.106 2.537 . . . . 0.0 112.297 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 159.52 87.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.432 -0.89 . . . . 0.0 113.193 -170.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 t -153.41 129.24 5.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 C--O 1.249 1.063 0 C-N-CA 122.136 1.891 . . . . 0.0 111.768 178.048 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.759 -1.337 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 17.6 m -104.84 132.42 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 169.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.29 -2.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.173 0.511 . . . . 0.0 110.753 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.7 ' HG3' ' ND2' ' A' ' 644' ' ' ASN . 21.1 ptmt -156.31 108.07 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -128.65 52.49 0.83 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 119.941 -1.123 . . . . 0.0 113.389 -167.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.457 ' HB2' ' O ' ' A' ' 644' ' ' ASN . 57.9 m95 -79.33 -29.57 42.35 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.594 ' HB3' ' HA ' ' A' ' 644' ' ' ASN . 56.7 p-80 -63.39 -15.95 59.07 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.301 176.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -64.04 -19.6 65.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.385 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -84.65 -13.88 50.22 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.838 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 24.8 t -80.07 134.89 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 173.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.7 p -99.26 163.05 12.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.703 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.55 -39.37 76.52 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.1 -46.04 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' C' ' 145' ' ' ALA . 46.9 tp -56.24 -43.55 78.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.43 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 604' ' ' VAL . 10.1 mtm180 -63.11 -46.22 88.33 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.6 t -55.53 -39.37 70.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.903 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -62.56 -44.53 96.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 0.0 109.986 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.405 HD11 HD11 ' A' ' 653' ' ' LEU . 20.4 mt -66.95 -40.72 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.627 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-O 121.165 0.507 . . . . 0.0 109.896 176.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -59.74 -42.0 92.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.511 ' HD3' HD12 ' C' ' 141' ' ' LEU . 98.3 mttt -59.64 -38.21 80.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.086 175.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -43.09 99.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 109.927 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.33 -47.93 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.986 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -54.51 -36.02 63.77 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.881 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.16 68.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.057 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 37.6 mt -94.39 -41.62 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.437 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.09 94.36 48.58 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.33 -40.82 13.74 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.421 2.081 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -149.5 98.66 3.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.4 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 2.5 Cg_endo -81.99 139.89 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.768 2.312 . . . . 0.0 111.948 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.479 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.1 p-10 -81.91 158.68 67.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.964 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.1 Cg_endo -45.65 -41.54 19.04 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.431 2.754 . . . . 0.0 113.866 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -78.74 -23.7 45.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.15 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.572 0.701 . . . . 0.0 110.237 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.4 ' HG ' ' HB2' ' A' ' 615' ' ' PRO . 3.9 mt -67.23 -26.51 66.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.993 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -93.84 5.83 50.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.465 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 10.5 t0 -94.88 145.88 24.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.92 -38.19 84.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.198 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.465 ' HG2' ' CG ' ' A' ' 622' ' ' ASP . 12.8 ptt180 -55.58 -40.44 72.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.281 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.414 ' O ' HG22 ' A' ' 629' ' ' VAL . 15.7 tpt -65.95 -41.91 90.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.611 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.24 -41.38 88.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.985 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -56.98 -40.87 77.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.468 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.81 -46.56 84.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.642 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 625' ' ' MET . 2.5 t -64.18 -38.38 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 120.847 0.356 . . . . 0.0 110.236 177.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.15 96.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.908 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.61 97.6 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.039 0.447 . . . . 0.0 109.899 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.55 -44.91 89.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.757 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -60.99 -48.84 79.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 639' ' ' MET . 75.9 t -57.81 -39.76 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.504 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -54.46 -40.7 68.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.897 0.379 . . . . 0.0 110.031 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -42.78 96.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.5 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.72 -40.25 95.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.433 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.0 mmt -66.11 -47.53 73.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.538 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.78 -43.33 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.253 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.65 -47.86 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.65 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 22.4 t -88.06 -30.23 20.07 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -168.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.25 3.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.228 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.7 ' ND2' ' HG3' ' A' ' 589' ' ' LYS . 5.1 t-20 57.0 9.37 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.703 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 4.4 m -144.61 149.58 35.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -65.3 -49.97 67.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.885 0.374 . . . . 0.0 110.355 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.24 -42.69 93.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.09 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.669 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.02 -43.99 91.64 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.672 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.73 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 58.1 t80 -65.07 -41.48 95.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.365 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -59.61 -49.31 78.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.849 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.43 -43.29 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.406 ' O ' HG12 ' A' ' 657' ' ' ILE . 85.8 mt -66.57 -41.88 87.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.388 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.72 93.45 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.057 0.456 . . . . 0.0 110.211 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.744 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 33.8 tt0 -64.34 -43.64 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.877 177.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' B' ' 843' ' ' ASN . 57.8 tttp -65.59 -50.7 64.13 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.467 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.6 pt -64.87 -37.97 81.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.563 -176.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.541 ' O ' ' HG2' ' A' ' 662' ' ' LYS . 54.2 t80 -64.31 -50.63 67.09 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.656 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -56.18 -49.19 74.72 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.397 0.436 . . . . 0.0 111.607 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.565 HG22 HD12 ' B' ' 845' ' ' LEU . 29.4 mt -68.3 -46.48 80.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 -173.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 6.3 tp-100 -55.68 -43.7 76.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.029 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 658' ' ' TYR . 32.5 mmmt -61.94 -38.93 90.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.617 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.22 -42.97 99.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.188 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.66 -39.47 88.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.476 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 669' ' ' ARG . 81.7 mt-10 -61.65 -50.97 70.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.276 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -39.27 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -58.31 -45.48 87.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -73.67 -29.51 62.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.389 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 665' ' ' GLU . 69.4 mtt180 -76.16 -18.72 58.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.567 178.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 15.9 m -95.01 7.93 44.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -39.12 142.44 0.23 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.236 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . 0.409 HD21 ' H ' ' A' ' 672' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.475 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -90.65 77.13 6.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.296 0.569 . . . . 0.0 111.155 -176.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 101.6 86.33 1.92 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.431 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.465 ' O ' ' HG3' ' A' ' 656' ' ' LYS . 21.5 m120 -87.44 -56.9 3.16 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -177.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.4 mt -102.27 148.59 7.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -174.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.565 HD12 HG22 ' A' ' 660' ' ' ILE . 4.1 mt -77.37 131.37 72.02 Favored Pre-proline 0 N--CA 1.453 -0.284 0 CA-C-O 120.734 0.302 . . . . 0.0 110.417 177.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.84 162.67 38.86 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.686 2.257 . . . . 0.0 112.963 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -54.57 -39.99 68.31 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -54.96 -44.19 74.13 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.26 -40.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.108 0.48 . . . . 0.0 110.173 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -40.04 79.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.505 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 8.8 m-20 -53.7 -38.37 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.846 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -60.17 -52.35 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.291 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.88 -38.89 76.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.732 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.607 0.241 . . . . 0.0 110.492 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -74.33 -46.87 38.07 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -123.09 127.05 48.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.343 0.592 . . . . 0.0 111.389 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 18.8 m -129.84 84.49 60.8 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.208 -0.905 . . . . 0.0 108.92 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.152 2.568 . . . . 0.0 112.521 -174.547 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.3 m -63.12 -29.27 70.67 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.9 -49.87 53.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.374 0.607 . . . . 0.0 110.004 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 73.1 p -81.31 12.96 3.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.535 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.1 -41.18 74.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.599 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -57.33 -48.41 79.03 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.359 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -64.49 -41.53 96.4 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.38 0.61 . . . . 0.0 109.551 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.54 -48.0 80.5 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.359 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.657 ' O ' HG12 ' C' ' 127' ' ' ILE . 10.5 tpp180 -62.67 -42.99 99.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.201 176.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -57.12 -41.87 79.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.858 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.09 -40.21 80.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.657 HG12 ' O ' ' C' ' 124' ' ' ARG . 1.2 pt -62.73 -39.98 86.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -41.0 89.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.7 t -57.0 -25.97 59.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.789 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -153.45 77.99 1.14 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.019 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 19.9 tpt180 -112.17 122.27 37.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.761 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 49.5 Cg_exo -57.08 -41.37 75.33 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.488 2.792 . . . . 0.0 113.354 -176.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.744 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 21.9 m-85 -63.63 -42.35 98.17 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.871 170.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -55.76 -40.11 72.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -64.39 -61.1 2.43 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.045 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 45.1 pt -76.03 -37.32 33.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.716 HD13 ' CE1' ' A' ' 650' ' ' TYR . 4.1 tp -53.3 -47.9 68.84 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.85 0.296 . . . . 0.0 110.504 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.0 -53.8 27.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.86 -51.09 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.73 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 57.5 tp -57.62 -39.11 76.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.388 -176.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.561 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 94.0 p -84.74 -6.63 59.36 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 122.059 -0.4 . . . . 0.0 111.864 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 8.3 t -66.09 -16.67 64.14 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -170.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . 0.447 ' C ' ' HD3' ' C' ' 146' ' ' PRO . 31.7 t70 -147.2 64.55 1.16 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.542 0.686 . . . . 0.0 111.155 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.456 ' HB3' HD11 ' A' ' 599' ' ' LEU . . . -109.84 69.46 0.5 Allowed Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.773 168.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . 0.447 ' HD3' ' C ' ' C' ' 144' ' ' ASP . 3.8 Cg_exo -72.14 126.02 11.39 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.269 1.979 . . . . 0.0 112.92 -173.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.607 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -166.77 169.83 40.94 Favored Glycine 0 N--CA 1.432 -1.614 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 167.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 41.6 t 81.83 96.53 0.04 OUTLIER Pre-proline 0 C--N 1.316 -0.848 0 O-C-N 124.345 0.674 . . . . 0.0 110.542 175.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.452 -0.948 0 C-N-CA 122.984 2.456 . . . . 0.0 111.94 177.623 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.681 0 CA-C-O 119.954 -0.359 . . . . 0.0 113.526 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 4.1 m -137.67 67.25 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 117.73 0.765 . . . . 0.0 112.984 -171.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 70.42 -15.14 0.37 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.934 168.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -143.89 80.25 1.65 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -91.24 19.17 48.47 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.718 -0.673 . . . . 0.0 113.748 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.429 ' HB2' ' OH ' ' A' ' 640' ' ' TYR . 24.9 m95 -50.1 -33.75 19.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.826 0.313 . . . . 0.0 111.467 174.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -59.46 -22.22 61.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.693 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -74.15 -33.03 63.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.828 -172.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -110.36 -0.6 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.471 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.3 t -120.59 99.58 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.506 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.9 p -102.56 168.69 9.12 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.839 -166.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -56.69 -39.31 73.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.784 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.491 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 19.7 t70 -60.94 -50.34 73.81 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.02 -49.53 76.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.538 ' O ' HG22 ' A' ' 604' ' ' VAL . 77.4 mtp180 -59.32 -38.85 81.33 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.997 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.7 m -54.56 -38.65 66.91 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.046 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.491 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 52.1 m-70 -64.51 -42.91 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.25 0.547 . . . . 0.0 109.804 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.723 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 29.4 mt -66.94 -45.11 78.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.697 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.74 -40.71 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -59.83 -43.69 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.723 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 0.0 OUTLIER -59.76 -35.74 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -49.61 74.53 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.06 -49.13 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.651 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -55.42 -37.54 67.79 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.495 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.09 72.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.408 ' CD1' HD11 ' B' ' 845' ' ' LEU . 44.5 mt -95.52 -38.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.794 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.27 87.36 23.86 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -59.33 -41.28 60.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.619 2.213 . . . . 0.0 112.453 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.6 t -147.43 90.5 5.24 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.01 135.29 40.22 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.527 2.152 . . . . 0.0 111.729 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.42 164.82 31.17 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.15 -38.62 71.41 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.187 1.925 . . . . 0.0 113.18 -175.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -76.87 -21.25 55.25 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.201 -0.312 . . . . 0.0 111.561 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.98 60.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 109.945 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.45 -16.3 64.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.109 -175.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.433 ' C ' ' HD2' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -99.61 1.3 43.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.419 ' OD1' ' HG3' ' A' ' 624' ' ' ARG . 10.2 t70 -95.25 139.64 31.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.263 0.554 . . . . 0.0 110.736 -170.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -60.81 -38.91 87.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.917 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.419 ' HG3' ' OD1' ' A' ' 622' ' ' ASP . 55.4 mtt180 -66.07 -40.33 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -66.41 -42.51 87.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.84 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -57.31 -40.89 78.81 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.791 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -58.26 -38.7 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.334 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.69 -47.4 81.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.467 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.75 -37.6 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 121.117 0.484 . . . . 0.0 110.08 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.471 ' HA ' ' HD2' ' A' ' 633' ' ' LYS . . . -64.16 -39.22 93.54 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.597 0.713 . . . . 0.0 109.619 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.48 -38.91 91.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.044 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.57 84.16 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.471 ' HD2' ' HA ' ' A' ' 630' ' ' ALA . 12.0 mttm -61.75 -48.09 82.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.271 0.558 . . . . 0.0 110.428 177.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.68 -47.58 76.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.314 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.95 -41.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.02 -39.5 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.478 0.656 . . . . 0.0 109.819 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -62.56 -41.87 99.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.76 -0.734 . . . . 0.0 111.934 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.84 -39.47 77.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.087 0.47 . . . . 0.0 110.373 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 24.7 mmt -64.88 -52.84 54.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.614 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' A' ' 591' ' ' TRP . 32.4 t80 -66.23 -39.79 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.167 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.5 mt-10 -60.74 -39.34 88.32 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.787 0.327 . . . . 0.0 111.432 -176.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.0 p -95.59 -22.54 17.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.917 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.01 -69.05 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.94 0.98 1.32 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.174 0.59 . . . . 0.0 112.066 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.1 m -158.24 151.33 22.84 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -65.43 -42.15 92.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.15 -43.09 96.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.3 -37.42 87.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.973 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.72 -49.97 71.6 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.257 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.669 ' HH ' ' HA ' ' C' ' 138' ' ' LEU . 83.0 t80 -65.0 -43.58 92.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.785 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -55.9 -49.23 74.01 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.058 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.78 -40.8 95.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.594 ' O ' HG12 ' A' ' 657' ' ' ILE . 11.3 mt -63.65 -49.75 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.907 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.79 96.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.82 -51.1 63.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.323 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.501 ' HZ1' ' HB3' ' B' ' 843' ' ' ASN . 27.9 ttmt -68.15 -44.96 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.482 -175.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.594 HG12 ' O ' ' A' ' 653' ' ' LEU . 37.6 pt -59.75 -39.18 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.182 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -62.4 -40.17 95.64 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 117.864 0.302 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.57 -50.45 73.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.674 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.508 HG21 HD12 ' B' ' 845' ' ' LEU . 20.0 mt -69.6 -42.62 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.435 0.636 . . . . 0.0 110.231 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.394 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.38 -43.35 96.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.034 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.408 ' CD2' ' HG3' ' B' ' 850' ' ' MET . 47.4 mt -62.81 -39.71 95.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.834 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.47 -49.41 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.898 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -39.65 88.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.067 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.3 -41.86 99.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.444 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -74.32 -29.91 61.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.165 0.507 . . . . 0.0 109.842 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -80.72 -19.88 44.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.771 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 8.2 t -64.15 -24.37 67.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.624 -174.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 670' ' ' SER . 18.1 ptp180 160.87 142.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.535 0.734 . . . . 0.0 109.344 -174.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.16 173.845 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.043 0.449 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -79.31 65.45 4.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.555 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . -78.52 -95.55 0.26 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.205 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.501 ' HB3' ' HZ1' ' A' ' 656' ' ' LYS . 17.2 m120 -108.16 7.04 27.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 29.2 pt -133.53 153.35 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.508 HD12 HG21 ' A' ' 660' ' ' ILE . 2.6 mt -77.09 126.0 85.97 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 -173.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.52 175.07 11.07 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.811 2.341 . . . . 0.0 113.418 -174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.7 m -54.84 -40.19 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.84 -49.55 70.8 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.4 mm -65.06 -40.89 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.569 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.408 ' HG3' ' CD2' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -60.86 -43.27 98.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.506 176.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.403 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -60.54 -50.36 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.28 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.29 -38.74 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.269 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.65 -39.41 94.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.909 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.2 -30.01 68.99 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 110.721 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . 0.401 ' C ' ' HG1' ' B' ' 857' ' ' THR . 4.4 m120 -93.0 163.85 13.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.443 176.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 857' ' ' THR . . . . . 0.401 ' HG1' ' C ' ' B' ' 856' ' ' ASN . 57.2 m -154.65 93.77 2.8 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--O 1.248 0.985 0 C-N-CA 123.062 2.508 . . . . 0.0 112.033 -178.822 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 p -80.95 -34.3 33.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.366 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.26 -60.36 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.767 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 79.7 p -92.17 43.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 110.33 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.36 -47.82 84.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.589 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 47.1 t -58.43 -50.32 74.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.371 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -42.6 99.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.171 177.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . 0.551 ' O ' HG22 ' C' ' 127' ' ' ILE . 20.9 ttmm -61.18 -42.99 99.55 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.454 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.64 ' O ' HG12 ' C' ' 127' ' ' ILE . 3.5 tmm_? -55.27 -42.5 73.66 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.79 -44.45 96.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.34 0.591 . . . . 0.0 110.158 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' C' ' 123' ' ' LYS . 20.3 tt0 -55.16 -40.81 71.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.625 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.67 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 6.0 pt -59.93 -41.3 85.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.649 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.443 HD11 ' CE2' ' C' ' 134' ' ' TYR . 2.1 mm? -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.357 . . . . 0.0 110.464 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 16.5 m -60.8 -23.79 65.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.07 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -140.45 55.03 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.53 0.681 . . . . 0.0 109.83 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.67 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -114.83 100.78 53.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.891 -178.207 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.2 -44.76 31.62 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.639 2.226 . . . . 0.0 113.262 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.514 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 36.4 t80 -61.36 -43.36 98.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 177.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -59.97 -41.29 91.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' C' ' 136' ' ' LYS . 8.0 tmtm? -57.5 -56.33 23.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.27 -33.59 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.385 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.669 ' HA ' ' HH ' ' A' ' 650' ' ' TYR . 19.3 tp -64.4 -49.73 70.42 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.884 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -65.47 -50.07 66.7 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.88 -48.48 74.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.331 0.586 . . . . 0.0 111.795 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.529 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 34.8 tp -67.38 -37.04 82.53 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.611 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.517 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 16.3 p -63.87 2.11 0.55 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -169.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 143' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' C' ' 144' ' ' ASP . 21.8 t -65.08 18.14 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' C' ' 142' ' ' SER . 23.1 t0 82.27 85.42 0.04 OUTLIER 'General case' 0 C--N 1.347 0.476 0 C-N-CA 123.684 0.794 . . . . 0.0 111.111 169.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -34.03 113.44 0.43 Allowed Pre-proline 0 N--CA 1.48 1.035 0 O-C-N 123.752 0.657 . . . . 0.0 112.477 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.76 125.3 13.02 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.505 2.137 . . . . 0.0 112.147 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . -144.46 -115.6 1.02 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.27 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 24.3 t 65.32 106.13 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 121.061 0.457 . . . . 0.0 111.13 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo . . . . . 0 C--O 1.248 0.976 0 C-N-CA 123.011 2.474 . . . . 0.0 111.894 178.263 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.516 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 4.6 m -85.11 94.33 3.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.514 0.673 . . . . 0.0 110.596 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -130.51 83.94 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.87 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -137.11 94.44 2.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.339 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -97.19 10.12 65.44 Favored Glycine 0 C--N 1.33 0.215 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.612 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -49.68 -50.8 42.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -61.21 -19.23 61.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.823 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -79.62 -33.81 41.16 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.806 -175.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -105.76 -7.24 18.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.833 0.349 . . . . 0.0 110.659 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 46.6 t -120.66 104.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.2 p -102.04 168.26 9.51 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.954 -167.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.478 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -55.53 -39.79 70.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.797 175.111 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -58.97 -49.35 78.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.91 -49.17 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.01 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.567 ' O ' HG23 ' A' ' 604' ' ' VAL . 81.2 mtp180 -61.95 -43.04 99.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 47.7 m -58.63 -39.3 80.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.595 ' NE2' ' HA3' ' C' ' 147' ' ' GLY . 38.2 m170 -64.27 -40.06 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' A' ' 653' ' ' LEU . 24.5 mt -65.48 -46.87 78.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.389 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -59.57 -40.65 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 120.887 0.375 . . . . 0.0 110.65 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -57.65 -39.79 77.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.528 ' NZ ' ' HG ' ' C' ' 141' ' ' LEU . 54.0 mtpt -64.1 -38.64 91.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.789 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -46.99 80.75 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.51 -45.68 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.446 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -55.67 -38.64 69.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.03 72.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.46 0.648 . . . . 0.0 110.534 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.3 mt -89.5 -36.04 8.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.492 -176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.11 84.97 55.02 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.012 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.18 -41.9 15.17 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.171 1.914 . . . . 0.0 112.556 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 39.1 p -131.61 75.14 77.09 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.302 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -80.87 140.86 13.03 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.78 1.653 . . . . 0.0 111.783 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.2 168.04 15.43 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.97 -36.27 63.88 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.215 1.943 . . . . 0.0 113.164 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.7 56.07 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 122.195 -0.315 . . . . 0.0 111.238 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.76 -42.22 64.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.39 -30.07 70.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.007 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -95.62 11.96 31.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.59 0.233 . . . . 0.0 111.46 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.67 133.46 35.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -39.72 83.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.68 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.18 -40.62 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 110.12 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.421 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 2.0 tmt? -65.75 -39.98 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.851 176.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.72 -39.76 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.285 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -58.82 -39.11 80.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.421 ' HB3' ' O ' ' A' ' 625' ' ' MET . 41.4 tp -60.69 -42.14 96.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.057 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.53 -37.4 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.248 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.24 95.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 109.921 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.69 -40.02 91.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.016 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.69 88.94 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.248 0.546 . . . . 0.0 109.889 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.421 ' HD3' ' C ' ' A' ' 633' ' ' LYS . 13.5 tmtt? -59.25 -46.04 89.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.787 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -62.91 -49.04 76.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 78.0 t -57.24 -45.6 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.44 ' HG3' HG21 ' A' ' 604' ' ' VAL . 5.7 tm-20 -61.99 -39.61 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 109.806 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.09 -38.81 87.95 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.687 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.24 -37.93 81.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.482 0.658 . . . . 0.0 110.367 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 22.2 mmt -63.94 -49.02 74.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.959 -175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.97 -39.69 94.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 47.3 mt-10 -64.61 -40.5 95.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.178 0.513 . . . . 0.0 110.915 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 -29.58 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.876 -174.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.33 -70.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.34 8.93 2.33 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.38 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.2 m -156.1 158.33 37.54 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -65.14 -49.79 68.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.739 0.304 . . . . 0.0 111.669 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.88 -43.32 96.41 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.567 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.13 -36.45 84.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.407 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.49 -50.44 73.05 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.46 ' HE2' ' CD1' ' C' ' 138' ' ' LEU . 55.9 t80 -65.88 -44.18 86.09 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.9 0.381 . . . . 0.0 110.417 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -61.82 -44.73 96.26 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.615 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.23 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.498 ' O ' HG12 ' A' ' 657' ' ' ILE . 14.0 mt -59.32 -49.28 78.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.17 96.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.098 0.475 . . . . 0.0 110.308 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.481 ' OE2' HD22 ' C' ' 128' ' ' LEU . 18.6 tp10 -59.98 -51.34 70.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.827 -177.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 20.9 ttmt -68.26 -43.32 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.489 -176.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.3 pt -62.18 -39.34 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' C' ' 131' ' ' ARG . 6.6 t80 -60.47 -39.56 88.08 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.369 0.532 . . . . 0.0 111.192 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.486 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 0.8 OUTLIER -58.94 -50.92 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.882 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.513 HG21 HD12 ' B' ' 845' ' ' LEU . 23.8 mt -68.98 -44.37 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.459 0.647 . . . . 0.0 110.183 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -54.67 -40.93 69.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.145 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 110.092 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 16.3 tt0 -65.62 -38.73 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.787 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.472 HD23 ' SD ' ' B' ' 850' ' ' MET . 31.2 mt -56.55 -41.83 77.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.24 -45.87 89.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.1 -38.85 92.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.806 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -57.27 -49.06 77.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.66 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -73.52 -23.21 59.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 110.191 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -74.97 -20.93 59.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.056 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 17.0 m -96.68 0.21 49.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.575 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.43 ' C ' ' HD2' ' A' ' 671' ' ' ARG . 6.9 tmm_? -42.63 136.46 2.51 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.399 176.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.553 -0.736 . . . . 0.0 109.694 -177.186 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.313 0.578 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -92.46 60.14 3.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.123 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 95.57 163.05 34.08 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.335 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -78.14 61.52 2.67 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.023 0.439 . . . . 0.0 110.1 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 50.4 pt -74.1 150.7 7.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 173.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.513 HD12 HG21 ' A' ' 660' ' ' ILE . 2.6 mt -79.07 122.16 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.523 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.65 173.87 10.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.567 2.178 . . . . 0.0 112.773 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 26.8 t -57.79 -41.47 82.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -49.02 71.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 46.0 mm -65.42 -41.28 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 110.741 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.519 ' O ' HG13 ' B' ' 853' ' ' VAL . 30.7 mmt -65.19 -38.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.468 -178.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.34 -37.76 62.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.942 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -57.44 -49.81 75.06 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.142 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.519 HG13 ' O ' ' B' ' 850' ' ' MET . 9.2 p -66.45 -39.69 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.17 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.409 HD23 ' O ' ' B' ' 850' ' ' MET . 4.0 mm? -55.92 -38.98 70.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 175.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' B' ' 855' ' ' LYS . 4.3 ttmp? -99.62 17.97 19.18 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.261 0.553 . . . . 0.0 110.497 -174.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -110.36 140.18 44.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.109 -0.37 . . . . 0.0 110.807 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 50.1 m -124.89 103.91 30.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.201 175.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 123.324 2.682 . . . . 0.0 112.129 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m -64.25 -29.77 70.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.914 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 80.5 t -55.91 -46.93 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.542 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 20.0 p -84.56 12.24 7.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 41.8 m-20 -56.6 -38.4 71.99 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.598 0.237 . . . . 0.0 111.357 175.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 26.0 t -57.17 -42.14 80.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.462 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -63.07 -43.09 99.54 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.725 0.297 . . . . 0.0 110.8 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 29.5 pttt -63.05 -40.96 99.28 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.402 ' O ' HG12 ' C' ' 127' ' ' ILE . 0.0 OUTLIER -62.95 -44.54 95.79 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.33 178.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -57.9 -40.26 79.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.474 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -56.47 -40.25 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.66 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.711 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.5 OUTLIER -65.62 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' C' ' 134' ' ' TYR . 2.2 mm? -66.88 -45.99 76.35 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.365 0.602 . . . . 0.0 110.186 -176.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 37.6 m -57.88 -34.53 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.129 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . 0.454 ' HA ' ' NE ' ' C' ' 130' ' ' ARG . 4.7 tpm_? -131.44 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.711 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 12.3 tpt180 -112.97 119.08 43.48 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -48.36 -68.87 0.08 OUTLIER 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 123.21 2.607 . . . . 0.0 113.557 -172.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.536 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 24.4 t80 -58.3 -48.29 80.95 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 -175.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -64.04 -41.95 97.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.167 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.84 -43.87 90.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.4 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . 0.642 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 29.3 pt -75.16 -40.96 44.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.668 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 14.3 tp -55.63 -47.92 75.81 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -63.72 -49.4 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.36 -42.08 93.17 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.413 0.625 . . . . 0.0 111.197 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.642 ' HB2' ' O ' ' C' ' 137' ' ' ILE . 12.8 tp -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.551 -171.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 2.2 p -68.47 -26.81 65.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.418 0.628 . . . . 0.0 111.542 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 9.6 t -93.67 44.77 1.14 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -171.81 76.79 0.06 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.983 -171.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -110.37 72.11 0.68 Allowed Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 168.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.88 127.49 17.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.102 2.534 . . . . 0.0 114.129 -162.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.595 ' HA3' ' NE2' ' A' ' 602' ' ' HIS . . . 158.33 -137.18 5.13 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 173.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 54.7 t 74.4 100.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 C-N-CA 122.938 0.495 . . . . 0.0 110.307 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 C--O 1.247 0.953 0 C-N-CA 122.989 2.459 . . . . 0.0 111.958 -178.491 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.79 98.53 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-O 121.554 0.692 . . . . 0.0 109.714 173.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -79.62 -68.23 0.69 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.772 -176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -112.1 65.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.406 0.622 . . . . 0.0 111.228 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -93.52 -4.96 63.66 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.036 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -50.93 -52.3 43.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 122.806 0.442 . . . . 0.0 111.974 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -67.29 -13.19 61.75 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.251 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -73.39 -28.53 62.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.655 0.264 . . . . 0.0 110.343 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.488 ' O ' ' HA3' ' C' ' 147' ' ' GLY . 56.0 t-80 -86.77 -10.97 52.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 74.9 t -103.09 113.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.533 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 45.8 p -97.33 176.89 5.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -175.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -62.15 -38.94 90.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.65 -48.28 81.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.717 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' C' ' 145' ' ' ALA . 49.6 tp -61.89 -40.73 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.46 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.583 ' O ' HG21 ' A' ' 604' ' ' VAL . 77.2 mtp180 -63.75 -50.53 68.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.471 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 41.7 t -55.66 -42.03 74.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.364 -177.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.459 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 42.1 m80 -65.53 -40.35 92.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.501 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.91 -46.89 76.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.927 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.583 HG21 ' O ' ' A' ' 600' ' ' ARG . 1.8 t -64.15 -40.52 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.108 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.29 -46.09 83.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 97.5 mttt -56.4 -39.26 72.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.943 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.5 95.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.945 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.33 -49.19 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 175.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 612' ' ' PHE . 16.5 mm100 -55.36 -37.31 67.32 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.333 0.587 . . . . 0.0 110.523 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.13 -39.73 79.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.006 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 31.8 mt -90.99 -36.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.243 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 609' ' ' GLN . 0.1 OUTLIER -126.7 102.85 25.07 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.399 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -58.25 -41.62 64.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.723 2.282 . . . . 0.0 112.869 -174.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.9 t -162.7 89.17 1.32 Allowed Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 121.287 0.565 . . . . 0.0 111.147 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.72 146.01 59.14 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.472 2.114 . . . . 0.0 111.904 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -86.01 161.58 49.34 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.032 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.45 -37.6 62.04 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 113.543 -175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.65 -21.46 44.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.0 -0.437 . . . . 0.0 110.994 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.72 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.437 0.637 . . . . 0.0 110.1 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.1 mt -65.83 -22.41 66.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.284 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -99.17 10.81 40.7 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.88 143.37 26.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.671 0.272 . . . . 0.0 110.364 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.26 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.156 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -66.41 -41.35 89.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.452 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.8 tmt? -66.14 -38.92 89.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.002 176.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.96 -39.45 68.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.648 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -58.48 -38.32 77.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' ' 625' ' ' MET . 21.0 tp -63.5 -49.46 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.19 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -40.49 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.521 0.677 . . . . 0.0 110.861 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.17 82.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.232 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.69 -42.65 99.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.129 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.11 95.12 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.209 0.528 . . . . 0.0 110.108 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -62.58 -43.97 97.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.09 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.6 -42.83 95.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 111.297 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 639' ' ' MET . 54.7 t -59.15 -44.76 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.437 177.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.068 0.461 . . . . 0.0 109.981 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.06 95.94 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.115 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.46 -38.92 89.0 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 26.0 mmt -56.05 -45.17 79.33 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.628 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -55.76 -41.44 73.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.988 0.423 . . . . 0.0 111.02 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.55 -47.36 73.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 10.8 p -88.04 -53.21 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.13 -48.26 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.4 t30 72.41 -29.57 0.2 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.491 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 10.7 m -125.35 159.67 31.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.997 0.362 . . . . 0.0 110.71 -173.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.489 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 62.2 mtp180 -66.57 -51.16 59.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.46 -41.62 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 110.449 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.41 -35.76 81.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.293 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.489 ' HB3' ' O ' ' A' ' 646' ' ' ARG . 16.6 t80 -55.32 -47.72 75.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.328 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.719 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 39.1 t80 -67.24 -43.81 80.99 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.036 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -57.42 -44.78 84.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.743 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.58 -38.3 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.41 HD23 ' HE3' ' A' ' 639' ' ' MET . 97.9 mt -64.18 -42.37 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.716 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.32 90.79 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.091 0.472 . . . . 0.0 110.702 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.757 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 30.9 tt0 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.624 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -63.49 -49.39 73.74 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.976 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 33.7 pt -64.0 -38.53 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.635 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -59.88 -44.03 94.44 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 117.779 0.263 . . . . 0.0 111.046 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -55.93 -49.16 74.26 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 111.408 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.451 HD11 HD12 ' B' ' 845' ' ' LEU . 42.9 mt -65.6 -51.23 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.489 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -56.79 -40.85 76.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.021 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.39 -49.63 74.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -64.74 -40.12 94.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.963 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.25 -41.74 80.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.982 0.42 . . . . 0.0 110.43 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.81 -47.64 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -39.55 94.99 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.265 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -73.28 -31.26 63.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.157 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -69.92 -33.4 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.704 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.0 m -92.47 -7.4 47.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.057 0.456 . . . . 0.0 111.015 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 60.98 54.03 3.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.309 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--O 1.248 0.994 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.731 -177.207 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 121.331 0.586 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -101.64 26.16 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.579 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 94.81 67.92 1.03 Allowed Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.986 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.61 -31.97 69.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.973 -0.613 . . . . 0.0 109.956 176.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.1 mt -120.17 151.86 22.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.553 ' HB2' ' SD ' ' B' ' 850' ' ' MET . 0.4 OUTLIER -88.94 143.28 31.19 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.644 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.61 167.68 7.92 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.308 2.005 . . . . 0.0 112.199 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.3 t -54.5 -37.86 65.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.306 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -53.59 -46.76 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.473 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.99 -44.48 96.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.046 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.553 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -63.27 -43.28 98.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.5 178.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.87 -41.04 97.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.066 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.53 -45.92 85.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.921 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.78 -38.66 89.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.459 172.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . 0.501 ' HA ' ' HE3' ' B' ' 855' ' ' LYS . 0.1 OUTLIER -68.87 -24.15 64.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -176.247 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . 0.545 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 7.1 t30 -92.44 135.09 34.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 26.5 m -95.14 105.17 17.93 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.008 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . 0.545 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 5.5 Cg_exo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.691 2.261 . . . . 0.0 111.046 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . 0.485 ' OD2' ' HE3' ' C' ' 123' ' ' LYS . 16.4 t70 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 11.1 p -85.98 -41.42 14.88 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -173.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 90.5 t -79.95 -58.75 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.343 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 82.2 p -95.03 46.34 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.402 0.62 . . . . 0.0 110.829 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.705 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 15.0 p-10 -58.81 -47.89 83.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.669 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 44.7 t -56.86 -49.48 75.35 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.95 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.34 -43.98 97.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.809 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . 0.709 ' O ' HG23 ' C' ' 127' ' ' ILE . 8.1 ptmm? -57.34 -42.63 82.31 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.75 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -53.45 -47.35 69.8 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.193 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -65.1 -48.97 71.79 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.286 0.565 . . . . 0.0 110.483 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.79 -41.54 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 113.658 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.709 HG23 ' O ' ' C' ' 123' ' ' LYS . 7.0 pt -59.1 -40.46 80.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.323 0.51 . . . . 0.0 110.842 -175.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.422 HD11 ' HH ' ' C' ' 134' ' ' TYR . 0.6 OUTLIER -65.12 -40.56 94.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.323 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 11.2 t -56.08 -37.84 69.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.316 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -152.79 89.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.458 0.647 . . . . 0.0 110.169 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.609 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.32 130.01 24.06 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.245 179.221 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -58.95 -27.75 85.67 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.59 2.193 . . . . 0.0 111.923 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.757 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 10.5 m-85 -62.21 -38.36 88.86 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-O 120.918 0.39 . . . . 0.0 110.19 174.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -53.69 -40.1 65.72 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -76.56 -60.3 2.4 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.86 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . 0.507 HG13 ' N ' ' C' ' 138' ' ' LEU . 28.5 pt -77.71 -50.76 19.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.206 -173.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.507 ' N ' HG13 ' C' ' 137' ' ' ILE . 9.2 tp -56.02 -42.74 76.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.129 0.422 . . . . 0.0 111.479 -172.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -63.99 -52.73 58.22 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.702 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.02 -46.52 70.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 111.518 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 20.2 tp -62.0 -38.27 87.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.407 -170.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.719 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 6.4 p -66.84 -33.62 76.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.333 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m 39.96 22.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 34.4 t70 61.27 64.1 1.14 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.529 ' HB2' HD11 ' A' ' 599' ' ' LEU . . . -32.8 96.02 0.09 OUTLIER Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.645 1.178 . . . . 0.0 113.656 -169.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . 0.438 ' O ' HD12 ' A' ' 599' ' ' LEU . 12.3 Cg_exo -68.21 125.42 12.95 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.03 2.487 . . . . 0.0 112.678 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.488 ' HA3' ' O ' ' A' ' 594' ' ' HIS . . . -130.67 53.73 0.8 Allowed Glycine 0 C--N 1.32 -0.315 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.827 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.451 ' HB ' ' HD3' ' C' ' 149' ' ' PRO . 12.7 t -146.71 -51.99 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 122.309 0.244 . . . . 0.0 111.398 -177.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . 0.451 ' HD3' ' HB ' ' C' ' 148' ' ' VAL . 2.6 Cg_exo . . . . . 0 C--O 1.251 1.131 0 C-N-CA 122.145 1.897 . . . . 0.0 111.954 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 120.1 -0.278 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.88 95.47 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 117.793 0.797 . . . . 0.0 111.867 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.01 55.52 7.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.617 172.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 589' ' ' LYS . 18.8 ptpt -140.4 111.1 6.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.425 0.631 . . . . 0.0 109.418 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -95.17 -8.41 58.88 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.923 -172.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -50.8 -54.26 25.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -69.93 -9.69 55.92 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -86.09 -24.27 26.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.558 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -93.82 -9.67 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.339 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 68.9 t -101.38 122.78 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.087 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.448 ' HB ' ' NE2' ' A' ' 597' ' ' GLN . 38.6 p -107.82 170.08 8.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.234 -176.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.448 ' NE2' ' HB ' ' A' ' 596' ' ' THR . 0.9 OUTLIER -55.97 -40.31 73.07 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.085 0.24 . . . . 0.0 111.098 179.319 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.49 -49.85 76.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.474 HD12 ' HB2' ' C' ' 145' ' ' ALA . 50.8 tp -58.01 -40.83 81.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.457 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 604' ' ' VAL . 41.3 mtp180 -62.84 -45.14 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.41 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.0 m -58.36 -40.66 82.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.147 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.55 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 90.5 m-70 -64.8 -40.63 95.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.125 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.38 -49.08 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.968 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -60.8 -40.54 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.489 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -58.49 -39.89 81.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.676 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 29.1 mtpp -57.43 -40.13 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 177.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.426 ' CD1' ' HZ3' ' A' ' 656' ' ' LYS . 7.5 mt -63.3 -51.04 67.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.445 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.54 -49.02 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.355 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.92 -39.02 76.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.184 0.516 . . . . 0.0 110.526 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.6 94.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.475 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 46.7 mt -86.82 -36.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.076 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' B' ' 858' ' ' PRO . 0.4 OUTLIER -130.56 104.11 16.07 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -56.83 -40.83 81.39 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.159 2.572 . . . . 0.0 113.553 -170.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.8 t -157.75 90.81 2.3 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 121.369 0.604 . . . . 0.0 111.258 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 137.88 36.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 111.706 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -84.19 164.58 42.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.203 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.67 -36.04 40.0 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.513 2.142 . . . . 0.0 113.81 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.97 -23.43 31.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.311 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.33 70.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.553 0.692 . . . . 0.0 109.958 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.76 -26.52 65.27 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.883 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.463 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -94.19 -0.37 55.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.135 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.15 148.69 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.184 0.516 . . . . 0.0 110.74 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -62.99 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.48 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.421 ' HG2' ' CE1' ' B' ' 852' ' ' PHE . 0.3 OUTLIER -58.65 -45.17 89.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 17.0 tpt -59.77 -39.01 83.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.927 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.94 -38.67 67.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -57.76 -40.16 79.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.64 -48.68 73.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.395 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.73 -38.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.106 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.477 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -60.4 -39.98 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.091 -176.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.39 84.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -175.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.477 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 5.0 mtpt -64.5 -46.23 83.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.081 0.467 . . . . 0.0 110.357 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -58.89 -49.78 76.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.317 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -46.55 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.578 ' OE1' ' HA ' ' A' ' 636' ' ' GLU . 0.7 OUTLIER -64.3 -39.46 93.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 -177.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.61 -37.22 74.84 Favored Glycine 0 CA--C 1.516 0.148 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.9 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.65 -37.58 79.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.186 -0.507 . . . . 0.0 112.058 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.484 ' CE ' ' HD3' ' A' ' 656' ' ' LYS . 22.4 mmt -55.63 -40.91 72.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -55.19 -39.55 69.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.66 -40.58 88.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.6 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.7 p -88.22 -36.64 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.21 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.17 -9.21 1.18 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.306 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 39.9 m -155.35 157.92 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.01 -0.431 . . . . 0.0 109.978 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 22.6 ttp180 -66.68 -46.42 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.646 0.26 . . . . 0.0 111.529 -177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.37 -40.07 96.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.123 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.27 -37.31 87.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.941 0.401 . . . . 0.0 110.003 173.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.635 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 17.9 t80 -57.36 -50.25 73.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.721 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 89.7 t80 -66.28 -41.04 90.4 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.193 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -56.5 -47.27 79.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.241 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.44 -38.77 92.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.3 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 649' ' ' TYR . 86.7 mt -66.21 -39.92 89.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -59.47 -47.19 86.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.043 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.567 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 34.4 tt0 -59.31 -40.26 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.442 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.484 ' HD3' ' CE ' ' A' ' 639' ' ' MET . 29.6 ttpt -64.03 -49.17 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.783 -178.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 44.4 pt -65.12 -37.77 81.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.843 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.69 -39.38 93.79 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.069 0.395 . . . . 0.0 110.302 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 659' ' ' LYS . 0.2 OUTLIER -62.1 -41.1 97.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 177.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.436 HG12 HD13 ' B' ' 845' ' ' LEU . 36.6 mt -64.27 -48.66 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.553 0.692 . . . . 0.0 109.532 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.41 -47.57 69.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.919 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 662' ' ' LYS . 65.7 mmtt -65.35 -39.28 92.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.46 -43.1 93.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.036 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.9 mt -62.58 -41.32 98.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.403 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.07 -50.48 71.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.652 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -38.7 91.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.677 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.597 ' HB2' ' HZ2' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -64.18 -43.61 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.24 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -76.1 -26.54 56.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.197 0.522 . . . . 0.0 110.152 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -75.96 -17.52 59.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 16.2 m -104.46 2.8 31.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.457 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -39.18 118.92 0.85 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.346 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.164 176.288 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 121.102 0.477 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -82.8 72.08 9.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.853 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.86 119.9 4.32 Favored Glycine 0 N--CA 1.437 -1.242 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -171.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -81.07 47.09 0.97 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . 0.449 HG23 ' HG2' ' A' ' 659' ' ' LYS . 30.8 pt -119.76 154.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.594 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.436 HD13 HG12 ' A' ' 660' ' ' ILE . 3.8 mp -76.89 124.79 87.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.971 -164.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.51 178.48 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.732 2.288 . . . . 0.0 112.277 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -57.14 -48.32 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -173.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.02 -49.65 68.42 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.18 -40.5 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.088 0.47 . . . . 0.0 110.47 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.406 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 4.5 mmt -64.08 -41.07 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.912 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.76 -39.72 74.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.208 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' A' ' 624' ' ' ARG . 27.3 t80 -62.58 -49.88 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.793 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.22 -38.06 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.13 -38.84 91.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.142 -0.349 . . . . 0.0 111.122 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -72.59 -45.21 60.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . 0.436 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 6.3 t30 -92.49 127.04 37.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 22.2 m -80.51 110.94 18.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.189 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 612' ' ' PHE . 10.2 Cg_endo . . . . . 0 N--CA 1.45 -1.048 0 C-N-CA 123.413 2.742 . . . . 0.0 111.62 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.424 0.154 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 4.2 m -65.43 -33.87 76.97 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.696 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.85 -48.74 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.235 0.541 . . . . 0.0 110.341 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 67.0 p -93.38 36.86 1.05 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.278 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.47 -47.58 85.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.338 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 24.7 t -59.08 -48.58 81.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.069 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -60.9 -46.56 90.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.884 -0.144 . . . . 0.0 111.061 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -62.91 -47.21 84.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.612 0.244 . . . . 0.0 110.953 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.473 ' O ' HG12 ' C' ' 127' ' ' ILE . 14.4 tpp180 -55.92 -45.4 78.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.256 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -55.84 -39.84 71.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.87 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.83 -42.6 79.92 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.712 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.6 OUTLIER -64.21 -40.17 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.209 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.464 HD23 ' O ' ' C' ' 124' ' ' ARG . 2.7 mm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 32.2 t -61.16 -31.18 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -129.14 54.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.491 0.662 . . . . 0.0 110.073 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 17.5 tpt180 -106.21 122.96 40.49 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.652 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.03 -35.46 65.47 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 111.84 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.567 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 7.7 m-85 -64.31 -38.31 90.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.564 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -54.49 -39.97 68.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' C' ' 136' ' ' LYS . 0.0 OUTLIER -72.19 -67.17 0.56 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.87 174.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . 0.416 HG13 ' N ' ' C' ' 138' ' ' LEU . 47.0 pt -78.13 -47.78 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' C' ' 134' ' ' TYR . 6.1 tp -57.01 -48.65 77.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 117.688 0.222 . . . . 0.0 111.487 -173.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -65.06 -53.09 51.0 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.88 -47.09 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.162 0.506 . . . . 0.0 112.077 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.525 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 59.0 tp -62.02 -41.36 98.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.721 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 70.8 p -77.17 -3.0 37.32 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 68.4 m -78.81 15.88 0.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -177.58 78.11 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 111.653 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 599' ' ' LEU . . . -107.5 65.49 0.23 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.884 166.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.12 154.59 57.27 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.151 1.901 . . . . 0.0 112.317 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . -91.29 33.55 4.68 Favored Glycine 0 N--CA 1.462 0.396 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 166.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 38.0 t -146.95 104.46 3.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 114.313 -0.944 . . . . 0.0 108.598 -172.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--O 1.25 1.096 0 C-N-CA 122.761 2.307 . . . . 0.0 112.6 -175.107 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 8.8 m -113.85 59.36 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 122.188 0.994 . . . . 0.0 109.919 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -148.29 57.4 1.07 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.842 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -165.73 176.54 7.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.009 -175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 94.87 26.66 12.38 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.357 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 13.7 m95 -64.98 -3.59 3.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -72.13 -15.93 61.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.721 0.772 . . . . 0.0 108.918 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -70.71 -13.25 62.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.373 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -101.49 7.2 42.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.125 0.488 . . . . 0.0 110.429 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 40.5 t -107.91 131.66 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 82.4 p -90.07 172.31 8.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.416 -171.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.413 HE21 ' H ' ' A' ' 598' ' ' ASP . 1.3 pm0 -61.95 -37.8 86.09 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.413 ' H ' HE21 ' A' ' 597' ' ' GLN . 25.6 t70 -58.52 -49.12 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.753 -174.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 29.6 tp -58.62 -43.12 89.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.589 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 604' ' ' VAL . 19.8 mtm180 -65.55 -41.13 93.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.2 m -55.56 -40.42 71.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 110.511 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -64.67 -40.74 95.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.501 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.84 -48.97 72.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.367 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -57.11 -44.64 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.044 0.45 . . . . 0.0 110.322 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.6 t-80 -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.477 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -58.03 -40.45 80.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.944 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.3 OUTLIER -55.92 -49.76 72.57 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.65 -43.76 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.414 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.1 mm100 -56.83 -41.36 77.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.195 0.521 . . . . 0.0 111.341 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.85 91.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.906 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 607' ' ' LEU . 45.1 mt -79.5 -35.18 16.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.759 -175.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.16 100.93 15.24 Favored Pre-proline 0 N--CA 1.449 -0.495 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -59.92 -34.5 95.22 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.988 2.459 . . . . 0.0 113.277 -175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.2 t -171.58 94.17 0.42 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.309 0.576 . . . . 0.0 110.43 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.19 128.07 4.8 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.076 1.85 . . . . 0.0 113.113 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.59 155.04 15.13 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.963 170.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.83 -38.28 85.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.594 2.196 . . . . 0.0 111.48 176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -58.28 -34.02 70.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -74.14 -49.71 22.58 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 110.38 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.4 mt -54.32 -30.86 52.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 3.82 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 110.859 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 619' ' ' ALA . 18.7 t0 -96.2 141.18 29.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.66 -174.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -57.95 -38.36 75.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.309 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.452 ' HD2' ' CE1' ' B' ' 852' ' ' PHE . 60.7 mtm180 -59.06 -44.51 91.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.109 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.549 ' O ' HG23 ' A' ' 629' ' ' VAL . 16.3 tpt -65.13 -42.53 93.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.86 -45.33 78.5 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -61.96 -38.65 89.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.74 -49.91 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.064 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 625' ' ' MET . 3.4 t -57.27 -38.48 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.502 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -62.2 -39.02 91.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.431 0.634 . . . . 0.0 110.286 -176.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.567 ' CE1' HG23 ' A' ' 635' ' ' VAL . 35.0 t80 -60.72 -44.37 96.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.949 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.29 89.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.863 -174.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.502 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 6.1 mtpt -64.85 -49.35 70.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -60.09 -46.35 89.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.344 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 631' ' ' TYR . 67.6 t -63.6 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.341 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.03 -39.53 66.26 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.04 96.96 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.25 -39.54 89.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 110.731 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.525 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.4 mmt -64.26 -51.08 65.33 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.86 -174.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -55.66 -46.6 77.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.877 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.01 -49.5 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.911 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 39.8 m -75.73 -36.52 59.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -60.94 -59.31 5.58 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.56 -17.01 0.5 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.681 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 11.8 m -132.83 156.06 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -66.37 -50.64 62.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -61.02 -46.65 89.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -174.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.49 -37.08 86.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.65 -49.57 77.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.142 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.599 ' HH ' ' HB3' ' C' ' 141' ' ' LEU . 76.4 t80 -65.84 -43.49 88.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 109.963 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -57.81 -48.29 80.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.792 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.8 -51.26 70.08 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.051 0.219 . . . . 0.0 111.27 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.96 -40.66 87.53 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.99 97.16 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 110.202 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.579 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 40.9 tt0 -64.46 -40.82 96.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.293 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -64.7 -50.59 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.859 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.74 -40.64 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.363 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.437 ' HB3' ' OH ' ' C' ' 134' ' ' TYR . 74.7 t80 -66.08 -45.2 82.13 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.27 0.486 . . . . 0.0 110.969 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -55.05 -51.09 67.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.525 HG22 HD12 ' B' ' 845' ' ' LEU . 18.5 mt -68.92 -42.91 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.007 0.432 . . . . 0.0 111.07 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.99 -44.1 74.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -64.78 -39.78 94.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.145 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 17.3 tp10 -57.99 -40.86 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.574 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.08 -42.41 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.451 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.52 -46.74 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.563 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.0 OUTLIER -61.97 -39.6 92.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.956 178.536 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.71 -45.78 81.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.005 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -77.38 -29.44 53.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.34 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -71.42 -41.96 68.87 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.201 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 21.2 t -83.14 18.64 1.64 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 670' ' ' SER . 27.5 tpt180 78.04 128.49 0.05 OUTLIER 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.951 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--O 1.251 1.18 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.276 178.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.358 0.599 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -137.55 20.51 2.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.709 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 92.79 112.52 2.07 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.082 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -107.83 32.85 4.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 38.0 pt -132.4 157.06 42.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 113.67 -1.605 . . . . 0.0 108.02 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.525 HD12 HG22 ' A' ' 660' ' ' ILE . 3.3 mt -74.56 115.01 39.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.628 0.251 . . . . 0.0 110.356 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . 0.445 ' O ' ' HG2' ' B' ' 850' ' ' MET . 24.7 Cg_exo -64.16 169.43 10.7 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 0.0 113.412 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.4 m -54.33 -40.53 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.23 0.331 . . . . 0.0 111.456 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.9 -49.62 70.76 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.468 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.2 -39.73 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.047 0.451 . . . . 0.0 110.493 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.469 ' HA ' ' HE3' ' B' ' 850' ' ' MET . 10.4 mmt -56.46 -38.11 71.22 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.129 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -54.78 -39.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.355 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.452 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 12.0 m-30 -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.287 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.57 -44.0 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.608 0.242 . . . . 0.0 111.57 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.46 -40.88 96.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -95.2 17.52 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.337 0.589 . . . . 0.0 110.773 -173.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -121.99 151.98 40.22 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 55.8 m -147.29 118.69 4.61 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.296 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.247 0.967 0 C-N-CA 123.011 2.474 . . . . 0.0 111.998 177.741 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 120.546 0.213 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.0 m -63.43 -32.22 73.59 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.95 0.405 . . . . 0.0 110.883 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.0 -51.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.466 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 40.2 p -73.21 -7.33 50.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.372 . . . . 0.0 111.234 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.66 -42.81 75.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.974 173.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 50.7 m -63.14 -44.68 94.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.649 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.21 -47.52 76.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -63.92 -39.82 95.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.042 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.597 ' O ' HG12 ' C' ' 127' ' ' ILE . 24.5 ttm180 -59.29 -45.69 90.58 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.956 175.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -58.04 -38.74 76.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.964 -175.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -56.38 -40.31 74.37 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.901 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.597 HG12 ' O ' ' C' ' 124' ' ' ARG . 2.0 pt -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.444 HD23 HG12 ' C' ' 127' ' ' ILE . 1.5 mm? -65.46 -41.98 92.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.92 -176.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 28.1 t -63.28 -14.54 50.73 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.86 48.03 1.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.517 ' HA ' ' NE ' ' C' ' 131' ' ' ARG . 0.0 OUTLIER -114.53 105.21 53.92 Favored Pre-proline 0 C--N 1.323 -0.563 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.443 -178.646 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.25 -22.19 34.77 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.482 2.121 . . . . 0.0 112.1 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . 0.423 ' O ' ' HB3' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.619 ' O ' ' HB3' ' C' ' 138' ' ' LEU . 49.3 m-85 -63.79 -39.76 95.02 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 120.673 0.273 . . . . 0.0 110.38 173.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.01 -39.19 68.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' C' ' 133' ' ' SEP . 35.7 ttpt -68.7 -65.7 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.968 174.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . 0.415 HG13 ' N ' ' C' ' 138' ' ' LEU . 41.5 pt -85.71 -46.99 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.619 ' HB3' ' O ' ' C' ' 134' ' ' TYR . 1.8 tp -58.36 -42.03 86.04 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.998 0.428 . . . . 0.0 111.091 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.32 -50.96 61.85 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.87 -0.519 . . . . 0.0 111.658 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.28 -50.23 61.19 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.599 ' HB3' ' HH ' ' A' ' 650' ' ' TYR . 53.1 tp -62.55 -39.75 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.874 -172.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.56 -21.3 64.55 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 89.1 p -58.56 -33.82 70.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.137 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 16.6 t70 169.17 92.63 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -37.1 109.03 0.43 Allowed Pre-proline 0 N--CA 1.475 0.814 0 O-C-N 123.717 0.636 . . . . 0.0 110.73 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -49.41 127.95 19.28 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.787 2.991 . . . . 0.0 114.478 -166.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.05 -94.16 0.12 Allowed Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.22 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 37.6 t 67.45 85.55 0.15 Allowed Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 121.726 0.774 . . . . 0.0 109.997 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 C--O 1.249 1.027 0 C-N-CA 123.35 2.7 . . . . 0.0 111.555 178.651 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 5.4 m -98.9 106.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.256 0.551 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -142.09 107.1 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.176 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -163.47 96.11 0.85 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.721 173.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -159.82 48.03 0.4 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.914 -173.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -38.87 80.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.209 0.528 . . . . 0.0 109.616 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -75.56 5.51 5.89 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -54.25 -13.42 0.86 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -84.23 -5.49 59.26 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.208 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 34.6 t -86.3 134.89 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -96.79 167.97 10.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -61.02 -38.31 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.86 -46.02 85.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.679 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.435 HD11 ' HA3' ' C' ' 147' ' ' GLY . 44.8 tp -55.0 -46.71 75.18 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 110.422 178.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.588 ' O ' HG22 ' A' ' 604' ' ' VAL . 48.4 mtm105 -62.46 -43.49 98.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.251 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 30.8 m -58.38 -40.09 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -64.05 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.35 -42.05 96.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.343 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 600' ' ' ARG . 2.5 t -62.63 -42.88 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.885 0.374 . . . . 0.0 110.392 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -62.15 -40.97 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.53 -38.89 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.65 175.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.411 HD12 ' HE3' ' A' ' 639' ' ' MET . 0.3 OUTLIER -59.72 -47.68 84.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.897 178.183 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.14 -46.11 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.279 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.61 ' HA ' HE21 ' A' ' 609' ' ' GLN . 0.0 OUTLIER -55.05 -37.69 67.05 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.026 0.441 . . . . 0.0 110.497 179.675 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.17 -38.71 77.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.599 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.4 mt -86.99 -38.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -127.68 108.18 20.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.181 -176.004 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.4 Cg_endo -62.8 -41.56 29.67 Favored 'Trans proline' 0 N--CA 1.473 0.266 0 C-N-CA 122.768 2.312 . . . . 0.0 112.585 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.1 t -160.65 107.25 1.32 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.81 143.23 23.34 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 111.991 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -83.25 162.55 53.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -53.5 -39.15 83.29 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.234 1.956 . . . . 0.0 113.044 -175.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.24 57.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -42.39 63.28 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.432 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.88 -28.99 69.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.925 -173.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.487 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -91.38 0.47 57.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.905 0.384 . . . . 0.0 111.259 -179.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 11.7 t70 -96.56 148.61 22.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.514 -172.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.13 -36.85 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.427 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.82 -47.03 74.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.898 0.38 . . . . 0.0 110.173 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.446 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.8 tpt -65.41 -41.85 93.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.746 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 40.5 mt-10 -58.96 -41.04 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.61 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -63.69 -39.29 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.155 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.21 -46.9 87.22 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.281 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 625' ' ' MET . 3.2 t -64.08 -38.39 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.512 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.02 -40.74 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.922 0.391 . . . . 0.0 110.239 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.78 94.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.229 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.77 -46.7 84.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.105 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 34.8 mmtp -63.19 -46.88 85.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.975 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.28 -43.11 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.521 ' HA ' ' CE ' ' A' ' 639' ' ' MET . 1.5 tm-20 -55.55 -39.83 71.12 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.84 -44.68 97.09 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.774 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.9 -42.89 84.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 110.82 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.56 ' SD ' HD22 ' A' ' 653' ' ' LEU . 67.9 mtm -64.27 -41.47 96.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.159 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.28 -42.98 87.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.184 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.3 -40.75 81.66 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.5 p -89.05 -21.75 23.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 -63.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 74.3 -29.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.035 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.3 m -132.53 158.45 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.973 -0.455 . . . . 0.0 109.931 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.01 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 0.0 110.75 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -64.16 -40.81 96.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.642 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.55 -37.71 79.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.338 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.515 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 1.0 OUTLIER -59.27 -50.09 75.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.387 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.657 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 67.8 t80 -65.28 -39.46 92.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.189 177.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -56.25 -45.24 80.12 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.7 -39.07 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 639' ' ' MET . 96.5 mt -62.83 -40.67 98.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.419 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.437 ' HB3' ' CE1' ' C' ' 134' ' ' TYR . . . -62.96 -49.35 75.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.625 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.78 -38.63 91.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.408 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 5.3 tmtm? -64.02 -48.23 77.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 34.0 pt -65.35 -40.07 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.979 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.8 -38.1 89.85 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 121.955 -0.466 . . . . 0.0 111.079 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -56.53 -44.39 80.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.54 HG12 ' CD1' ' B' ' 845' ' ' LEU . 7.6 mt -63.46 -48.47 86.93 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.395 0.617 . . . . 0.0 109.553 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.2 -42.51 69.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.045 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -64.36 -41.63 96.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 32.1 tp10 -65.01 -42.76 94.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.996 0.426 . . . . 0.0 110.447 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.5 -42.17 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.177 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.0 tp10 -64.44 -43.01 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.252 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.1 OUTLIER -62.87 -39.9 95.87 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.177 -179.578 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -61.47 -40.09 93.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.867 0.365 . . . . 0.0 110.494 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.549 ' O ' ' HG3' ' A' ' 671' ' ' ARG . 44.4 ttm180 -67.63 -34.34 76.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 77.6 mtp180 -69.9 -13.8 62.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.341 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 8.0 t -78.3 15.95 0.87 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.2 -177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 668' ' ' ARG . 21.6 mtm180 -65.5 173.36 2.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 173.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.755 -179.721 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 53.07 25.09 3.88 Favored 'General case' 0 C--N 1.335 -0.054 0 CA-C-N 115.078 -0.964 . . . . 0.0 112.541 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 55.36 73.41 0.43 Allowed Glycine 0 CA--C 1.503 -0.704 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.215 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.4 HD21 ' HA ' ' B' ' 843' ' ' ASN . 0.2 OUTLIER -78.38 -73.9 0.3 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -175.176 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 9.2 mt -94.68 147.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.137 0.494 . . . . 0.0 111.009 -172.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.54 ' CD1' HG12 ' A' ' 660' ' ' ILE . 0.0 OUTLIER -103.14 165.44 13.6 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.045 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.17 139.78 33.01 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.525 2.15 . . . . 0.0 111.453 173.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 17.0 p -54.81 -38.25 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.793 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.59 -43.9 72.55 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.259 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.9 mm -64.66 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.292 0.568 . . . . 0.0 109.768 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.416 ' HE2' ' HA ' ' B' ' 850' ' ' MET . 31.4 mmt -64.86 -40.29 94.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -58.3 -39.27 78.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.381 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.12 -48.85 74.49 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.262 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.72 -38.58 82.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.96 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 110.768 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.25 -39.64 74.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.959 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -101.65 128.13 48.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.807 0.337 . . . . 0.0 110.733 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 29.8 m -104.42 120.18 51.44 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.044 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.251 1.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.406 178.796 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.1 m -63.84 -30.79 71.84 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.927 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.9 -52.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.885 0.374 . . . . 0.0 110.179 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 65.9 p -73.55 3.7 5.86 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.74 -41.5 74.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.684 0.278 . . . . 0.0 110.448 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 17.4 m -57.72 -47.78 81.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.555 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.41 -47.43 76.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.565 0.698 . . . . 0.0 110.212 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -62.82 -40.89 98.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.872 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.567 ' O ' HG12 ' C' ' 127' ' ' ILE . 3.1 tpp180 -62.3 -45.8 91.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.881 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -62.03 -39.93 93.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.969 -175.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.01 -40.41 73.34 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.454 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.686 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 3.6 pt -63.45 -37.91 80.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' C' ' 134' ' ' TYR . 1.6 mm? -68.49 -42.54 78.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.137 -175.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.7 m -55.44 -40.22 71.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.173 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.51 49.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 109.964 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.686 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.13 101.1 52.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.906 177.466 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.477 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 58.0 Cg_exo -53.91 -41.22 76.69 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.173 2.582 . . . . 0.0 112.663 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.558 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 91.2 t80 -62.5 -44.62 95.92 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.624 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -57.9 -42.68 85.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.749 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 29.1 mtpp -61.23 -55.21 34.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.23 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.7 pt -66.76 -32.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.489 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 11.3 tp -62.91 -42.51 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.233 0.54 . . . . 0.0 111.049 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -66.7 -52.51 43.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.62 -51.36 51.12 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.657 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 33.8 tp -60.03 -40.13 88.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.901 -173.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.44 -15.1 63.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.989 0.423 . . . . 0.0 111.745 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 13.6 m -105.29 44.69 1.01 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.089 -173.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 33.4 t70 176.38 73.25 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.952 0.501 . . . . 0.0 110.394 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -139.17 93.11 10.38 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.5 126.15 15.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 121.848 1.699 . . . . 0.0 112.568 -177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.435 ' HA3' HD11 ' A' ' 599' ' ' LEU . . . -140.95 53.61 0.66 Allowed Glycine 0 C--O 1.235 0.185 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.308 170.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 12.5 t -151.9 113.52 2.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 122.895 2.396 . . . . 0.0 112.112 177.214 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.428 0 CA-C-O 120.124 -0.264 . . . . 0.0 113.1 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 6.3 m -84.62 104.04 12.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-N 117.589 0.695 . . . . 0.0 110.763 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -122.34 36.92 4.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.477 0.656 . . . . 0.0 110.06 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -137.19 99.46 3.99 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . 0.528 ' HA2' ' OE1' ' A' ' 593' ' ' GLU . . . -52.5 -41.64 56.33 Favored Glycine 0 N--CA 1.453 -0.198 0 O-C-N 124.05 0.844 . . . . 0.0 112.892 -175.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -50.39 -46.15 55.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 122.774 0.43 . . . . 0.0 111.871 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.492 ' NE2' ' HA ' ' A' ' 644' ' ' ASN . 64.3 m-70 -78.4 -3.01 41.09 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -175.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.528 ' OE1' ' HA2' ' A' ' 590' ' ' GLY . 45.8 mt-10 -77.37 -20.45 54.74 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.939 -171.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -89.57 -2.12 58.24 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.516 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.84 122.72 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.932 -0.48 . . . . 0.0 110.176 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -103.14 167.44 9.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.873 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -59.86 -39.53 85.52 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -49.93 70.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.522 HD11 ' O ' ' C' ' 146' ' ' PRO . 32.9 tp -55.56 -46.08 77.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.034 0.445 . . . . 0.0 110.317 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.554 ' O ' HG21 ' A' ' 604' ' ' VAL . 43.7 ttp180 -58.84 -46.76 86.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.9 m -57.61 -38.55 75.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.457 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.748 0.308 . . . . 0.0 110.306 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.12 -41.31 95.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.281 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -62.74 -40.27 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.864 177.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -59.48 -40.16 86.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.276 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -61.4 -37.17 82.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.16 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . 0.485 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.2 OUTLIER -55.11 -44.45 74.97 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.421 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . 0.434 HG23 HG12 ' A' ' 629' ' ' VAL . 52.8 t -64.83 -46.14 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.894 0.378 . . . . 0.0 111.429 176.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -55.72 -38.29 69.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.04 86.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.761 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 607' ' ' LEU . 31.6 mt -82.87 -36.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.437 -175.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.28 99.24 6.51 Favored Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.57 -41.42 48.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 112.96 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.5 t -157.81 104.59 1.77 Allowed Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.155 0.502 . . . . 0.0 111.689 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.415 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 1.7 Cg_endo -83.9 145.78 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 171.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -81.46 166.4 38.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.135 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.402 ' HA ' HD13 ' A' ' 620' ' ' LEU . 75.8 Cg_exo -47.74 -34.79 22.13 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.717 2.278 . . . . 0.0 113.903 -177.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.94 -27.52 28.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.934 -0.479 . . . . 0.0 110.837 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.96 65.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.548 . . . . 0.0 110.14 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 625' ' ' MET . 4.4 mt -59.24 -37.36 77.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.064 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -94.99 16.8 15.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.63 154.12 17.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -55.35 -38.72 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.233 0.333 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.492 ' HG2' ' CG ' ' B' ' 852' ' ' PHE . 9.9 tpp180 -58.4 -40.37 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.003 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.551 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.9 tpt -66.02 -44.83 83.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.589 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -63.56 -43.93 95.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . 0.463 ' ND2' HD11 ' B' ' 849' ' ' ILE . 37.7 t30 -61.0 -39.51 89.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.876 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 41.9 tp -60.25 -49.83 76.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 625' ' ' MET . 2.5 t -65.63 -40.16 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.549 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.491 0.662 . . . . 0.0 110.099 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.69 -39.87 81.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.406 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.92 93.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.448 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -65.44 -40.91 93.83 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.842 0.353 . . . . 0.0 110.437 178.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.81 -49.67 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.547 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' B' ' 843' ' ' ASN . 70.2 t -57.51 -46.45 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 173.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.4 -40.03 70.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.737 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . 0.457 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.52 -49.16 75.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.165 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.25 -39.82 86.2 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 122.157 0.979 . . . . 0.0 109.554 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 11.3 ttp -65.98 -50.55 63.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.511 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -58.73 -39.46 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.7 mt-10 -66.34 -40.03 89.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.9 m -83.25 -25.59 31.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.628 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.97 5.93 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.527 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.492 ' HA ' ' NE2' ' A' ' 592' ' ' HIS . 61.6 t30 69.27 -18.68 0.19 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.71 178.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.6 m -148.29 167.48 25.06 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.834 -0.541 . . . . 0.0 110.825 -175.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -64.83 -50.27 67.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.747 0.308 . . . . 0.0 111.777 -175.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.98 -46.51 90.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.627 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.5 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.182 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.498 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.2 t80 -58.13 -51.03 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.076 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.662 ' OH ' ' HA ' ' C' ' 138' ' ' LEU . 57.9 t80 -65.2 -42.07 93.92 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 11.4 t-160 -58.19 -46.59 85.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.055 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.09 -39.84 93.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.449 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.608 ' O ' HG12 ' A' ' 657' ' ' ILE . 41.7 mt -59.69 -47.21 86.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.292 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.21 97.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.405 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.605 ' CD ' HD13 ' C' ' 128' ' ' LEU . 50.6 mm-40 -64.5 -49.42 71.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.85 -48.0 70.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.31 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 653' ' ' LEU . 39.7 pt -64.47 -40.68 89.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.189 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -65.64 -41.07 93.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 117.966 0.348 . . . . 0.0 110.669 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -56.02 -51.13 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.532 HG23 HD13 ' B' ' 845' ' ' LEU . 20.6 mt -69.55 -43.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.233 0.539 . . . . 0.0 110.361 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -53.88 -45.35 71.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.789 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 0.443 ' HZ2' ' HB3' ' A' ' 662' ' ' LYS . 5.5 ttpm? -62.67 -40.93 98.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.379 178.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.86 -43.89 97.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.334 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.02 -39.92 96.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.663 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 15.1 tp10 -64.13 -50.74 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.208 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -39.25 93.98 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.045 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -64.31 -40.2 95.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -78.07 -30.92 49.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 21.8 mmm180 -73.56 -31.31 63.56 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.456 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 20.7 t -100.8 2.02 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -37.01 106.95 0.05 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.204 1.002 . . . . 0.0 112.603 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.063 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 . . . . . 0 C--O 1.236 0.371 0 CA-C-O 120.909 0.385 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -85.8 -12.58 50.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 96.15 132.39 7.14 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.846 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.417 ' HA ' HG23 ' A' ' 635' ' ' VAL . 0.9 OUTLIER -87.92 8.84 24.33 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.63 -0.335 . . . . 0.0 111.642 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 33.0 pt -120.46 152.32 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.532 HD13 HG23 ' A' ' 660' ' ' ILE . 3.5 mt -77.13 131.4 72.72 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.018 0.437 . . . . 0.0 111.731 -168.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.15 168.14 22.28 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.11 2.54 . . . . 0.0 113.087 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.04 -43.55 73.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.11 -49.83 68.25 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . 0.463 HD11 ' ND2' ' A' ' 627' ' ' ASN . 28.8 mm -66.47 -40.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.485 ' O ' HG13 ' B' ' 853' ' ' VAL . 6.1 mmt -64.97 -40.98 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.141 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.88 -38.8 76.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.492 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 57.9 t80 -63.2 -43.2 98.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.627 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.485 HG13 ' O ' ' B' ' 850' ' ' MET . 10.2 p -65.9 -38.57 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.808 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.22 -38.46 86.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 110.553 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -63.83 -30.69 71.75 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -93.18 148.47 22.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.942 0.401 . . . . 0.0 110.206 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 32.4 m -150.99 89.57 4.29 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-O 120.896 0.379 . . . . 0.0 111.171 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo . . . . . 0 C--O 1.248 0.998 0 C-N-CA 122.967 2.445 . . . . 0.0 111.486 177.39 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--O 1.227 -0.13 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.6 m -61.7 -30.22 70.61 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.269 175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.43 -49.29 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.317 0.579 . . . . 0.0 110.17 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' THR . . . . . 0.642 ' HA ' ' NE2' ' C' ' 122' ' ' GLN . 58.8 p -80.81 5.09 16.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.469 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.3 -41.43 79.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.477 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 34.9 t -61.23 -45.91 92.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.655 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . 0.642 ' NE2' ' HA ' ' C' ' 119' ' ' THR . 1.0 OUTLIER -62.24 -39.97 94.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 0.0 110.484 176.456 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -60.93 -45.59 94.07 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.953 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.649 ' O ' HG12 ' C' ' 127' ' ' ILE . 0.3 OUTLIER -61.73 -41.98 98.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.374 176.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -59.11 -40.54 85.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -56.08 -39.23 71.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.974 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.649 HG12 ' O ' ' C' ' 124' ' ' ARG . 1.6 pt -62.76 -38.32 81.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.819 0.342 . . . . 0.0 110.272 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.605 HD13 ' CD ' ' A' ' 655' ' ' GLU . 1.5 mm? -64.65 -41.36 96.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 110.112 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.3 m -56.38 -23.56 38.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.421 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -156.83 73.63 0.77 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.597 ' NH1' HD11 ' C' ' 128' ' ' LEU . 14.3 mtp180 -114.68 105.7 53.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.595 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 38.0 Cg_exo -62.02 -57.0 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.189 2.593 . . . . 0.0 113.153 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . 0.494 ' O3P' ' HB2' ' C' ' 132' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.541 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 34.0 t80 -57.68 -47.73 81.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.626 174.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.416 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -58.6 -56.16 25.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 32.4 pt -70.78 -30.71 43.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.052 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.662 ' HA ' ' OH ' ' A' ' 650' ' ' TYR . 6.1 tp -56.42 -45.64 80.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.304 0.378 . . . . 0.0 111.087 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -65.98 -52.56 48.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.88 -53.58 20.37 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.59 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 22.8 tp -56.93 -38.49 72.97 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.573 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 57.7 p -70.91 -16.97 62.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.422 0.629 . . . . 0.0 110.765 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 7.7 m -107.7 44.71 1.06 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.893 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -176.03 53.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.954 -174.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -116.81 95.0 45.59 Favored Pre-proline 0 C--O 1.235 0.297 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 171.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . 0.522 ' O ' HD11 ' A' ' 599' ' ' LEU . 31.9 Cg_exo -57.7 155.1 33.52 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.604 2.203 . . . . 0.0 111.311 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.27 80.54 0.05 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.208 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.412 ' H ' ' HD2' ' C' ' 149' ' ' PRO . 6.1 t -148.01 -61.17 0.02 OUTLIER Pre-proline 0 N--CA 1.469 0.525 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.111 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . 0.412 ' HD2' ' H ' ' C' ' 148' ' ' VAL . 42.9 Cg_endo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 121.695 1.596 . . . . 0.0 112.487 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 CA-C-O 119.926 -0.375 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . 0.417 ' O ' ' HG2' ' A' ' 588' ' ' ARG . 21.7 t -58.69 91.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.129 0.49 . . . . 0.0 110.841 175.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 587' ' ' VAL . 17.9 mmm180 -170.6 -45.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.325 -175.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -155.33 77.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.691 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -94.24 1.72 67.55 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.912 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -50.34 -56.46 11.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.139 0.495 . . . . 0.0 110.708 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -81.92 3.48 26.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.771 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -83.77 -34.66 24.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.515 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -88.73 -11.09 46.08 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.454 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 42.6 t -110.48 120.75 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 74.5 p -102.64 155.06 18.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.205 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -58.17 -37.39 74.61 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.904 0.383 . . . . 0.0 110.074 177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.592 ' OD2' ' HA2' ' C' ' 147' ' ' GLY . 20.4 t70 -57.25 -48.96 77.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.477 HD11 ' HB1' ' C' ' 145' ' ' ALA . 65.8 tp -57.6 -41.94 82.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.413 177.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.461 ' O ' HG21 ' A' ' 604' ' ' VAL . 52.0 ttt180 -64.15 -48.53 75.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.3 m -56.97 -40.63 76.86 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -61.88 -39.81 93.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.59 -45.0 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.48 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -60.28 -40.95 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.701 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.492 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 11.7 m-70 -59.61 -42.47 92.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.248 176.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -63.09 -38.3 90.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -46.78 76.96 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.17 -48.22 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.498 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 14.6 mm100 -57.7 -39.46 77.22 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.033 0.444 . . . . 0.0 111.274 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.61 86.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 56.5 mt -82.82 -36.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.082 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.3 99.16 28.18 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.477 -176.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.02 -38.61 94.48 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.934 2.423 . . . . 0.0 112.818 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' THR . . . . . 0.46 ' O ' ' HG3' ' B' ' 858' ' ' PRO . 4.5 t -161.19 95.57 1.38 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.369 0.604 . . . . 0.0 111.086 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.56 137.05 62.03 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.567 2.178 . . . . 0.0 111.64 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . 0.495 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.3 p30 -84.92 162.33 50.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.878 -178.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.6 Cg_endo -45.95 -44.91 18.22 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.0 2.467 . . . . 0.0 113.455 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.33 56.92 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.51 -42.76 61.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.218 0.532 . . . . 0.0 109.943 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.675 -176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.461 ' HD3' ' C ' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -93.5 3.9 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.171 -179.726 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -96.8 137.08 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.395 0.617 . . . . 0.0 111.172 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 623' ' ' ARG . 3.9 ptp180 -63.54 -37.21 86.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.831 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -63.91 -40.28 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -65.96 -40.15 91.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.133 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -54.17 -39.92 67.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -55.7 -38.59 69.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.332 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.68 -44.96 94.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.792 0.33 . . . . 0.0 110.314 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.3 -38.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.219 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.3 93.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.224 0.535 . . . . 0.0 110.028 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -65.4 -40.51 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.22 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.54 94.4 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.194 0.521 . . . . 0.0 109.849 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.69 -47.55 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.006 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.1 -45.28 95.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.303 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.77 -44.24 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -55.81 -39.27 71.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.07 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.45 -43.61 90.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.276 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.18 -39.59 94.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.94 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 23.9 mmt -65.09 -50.4 66.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.402 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.09 -44.65 97.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.872 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.73 -40.41 88.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 8.2 t -87.2 -30.97 20.59 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.559 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -63.5 -69.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 t30 60.93 6.69 1.27 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.036 0.534 . . . . 0.0 112.076 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.2 m -147.09 151.04 36.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -65.01 -48.27 74.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 111.509 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.68 -49.09 79.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.447 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.89 -36.74 85.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.739 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.44 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.1 t80 -56.1 -51.24 68.61 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.955 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.662 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 88.0 t80 -66.42 -42.59 87.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 110.593 175.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -59.02 -42.66 90.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.593 -175.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.67 -43.62 92.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.678 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.43 ' O ' HG12 ' A' ' 657' ' ' ILE . 55.2 mt -65.19 -41.22 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.58 81.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.979 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.17 -41.01 95.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -65.33 -48.47 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.362 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.1 pt -64.38 -38.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.144 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.52 ' HH ' ' HD2' ' C' ' 132' ' ' PRO . 7.5 t80 -64.18 -44.85 90.75 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.182 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 1.3 tmtp? -55.33 -50.53 69.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.504 HG23 HD13 ' B' ' 845' ' ' LEU . 21.1 mt -69.12 -45.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.979 0.418 . . . . 0.0 110.396 -177.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -54.27 -48.87 70.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.47 -40.34 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 0.0 110.206 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 35.4 tt0 -64.85 -40.36 95.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.031 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.715 HD22 ' SD ' ' B' ' 850' ' ' MET . 99.1 mt -58.67 -46.01 88.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.454 176.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.27 -40.78 94.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.922 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.51 -39.53 93.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.486 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.541 ' HZ1' ' HB2' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.04 -40.27 94.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -179.035 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -73.45 -26.85 61.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.41 0.624 . . . . 0.0 109.776 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 669' ' ' ARG . 40.7 ttm180 -81.0 -15.56 55.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.097 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 25.5 t -70.15 -2.01 11.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.792 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.09 162.38 4.4 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 111.391 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.44 0.638 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -106.09 89.1 2.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.259 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.24 77.19 0.96 Allowed Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.899 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -119.09 -111.46 0.34 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 44.7 pt -86.26 151.03 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 660' ' ' ILE . 3.6 mt -78.51 119.06 75.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -168.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -78.91 178.14 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.766 2.311 . . . . 0.0 111.928 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 29.4 t -55.97 -48.72 75.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.793 -173.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -54.66 -49.85 69.61 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.35 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.234 0.54 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.715 ' SD ' HD22 ' A' ' 664' ' ' LEU . 10.5 mmt -65.5 -37.0 85.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.481 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.65 -38.41 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.19 -50.0 74.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.317 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.437 HG13 ' O ' ' B' ' 850' ' ' MET . 8.5 p -66.38 -38.41 81.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 120.741 0.305 . . . . 0.0 111.422 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.22 -39.71 94.54 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.6 0.238 . . . . 0.0 110.799 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -78.3 -51.79 9.6 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.612 0.244 . . . . 0.0 111.33 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -93.91 126.87 39.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.002 0.43 . . . . 0.0 110.402 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 39.2 m -154.5 128.29 4.49 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . 0.46 ' HG3' ' O ' ' A' ' 614' ' ' THR . 17.3 Cg_endo . . . . . 0 C--O 1.25 1.093 0 C-N-CA 122.97 2.446 . . . . 0.0 112.035 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.579 0.228 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.0 m -63.11 -28.74 70.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.908 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.86 -46.8 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.125 0.488 . . . . 0.0 110.034 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 44.4 p -74.61 -6.31 47.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.412 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.3 -41.94 80.82 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 173.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 46.7 t -57.12 -46.4 82.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.488 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . 0.455 ' HG2' ' NH2' ' C' ' 125' ' ' ARG . 34.7 mt-30 -63.18 -41.33 99.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.359 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -58.68 -49.65 76.78 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.336 0.589 . . . . 0.0 110.549 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.93 -41.93 97.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.123 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . 0.455 ' NH2' ' HG2' ' C' ' 122' ' ' GLN . 58.9 ttp180 -60.03 -39.89 87.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.449 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.23 -38.6 71.3 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -175.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.539 HG12 HD23 ' C' ' 128' ' ' LEU . 0.7 OUTLIER -61.73 -36.93 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.539 HD23 HG12 ' C' ' 127' ' ' ILE . 2.6 mm? -67.71 -42.71 81.52 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.828 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.8 t -68.14 -17.31 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.527 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . 0.561 ' O ' ' HD3' ' C' ' 132' ' ' PRO . 3.4 tpm_? -115.08 68.14 0.7 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.522 ' HB2' ' HB3' ' C' ' 134' ' ' TYR . 24.8 ptt180 -109.52 97.02 25.18 Favored Pre-proline 0 N--CA 1.445 -0.689 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.387 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.662 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 1.0 OUTLIER -87.43 -74.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 122.761 2.307 . . . . 0.0 110.114 168.345 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . 0.45 ' HA ' ' CG ' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.522 ' HB3' ' HB2' ' C' ' 131' ' ' ARG . 73.3 t80 -63.85 -42.25 97.61 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.171 177.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . 0.662 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -53.37 -59.0 5.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . 0.45 HG12 ' O ' ' C' ' 133' ' ' SEP . 21.6 pt -69.21 -37.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.351 -177.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.47 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 13.3 tp -60.94 -45.79 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 -178.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.6 -50.87 63.47 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.042 -0.411 . . . . 0.0 111.381 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.84 -51.79 51.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.549 ' HB3' ' HH ' ' A' ' 650' ' ' TYR . 20.9 tp -62.63 -39.16 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.862 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.662 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 78.8 p -76.69 -17.26 59.22 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 111.297 -175.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 143' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' C' ' 144' ' ' ASP . 2.3 t -89.77 22.91 2.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.425 -171.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' C' ' 143' ' ' SER . 37.7 t70 172.87 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -117.67 91.41 38.46 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 173.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.91 125.52 16.73 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.015 1.81 . . . . 0.0 112.17 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.592 ' HA2' ' OD2' ' A' ' 598' ' ' ASP . . . -154.12 61.95 0.37 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.75 176.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.504 ' HB ' ' HD3' ' C' ' 149' ' ' PRO . 5.1 t -158.54 -59.9 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -174.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . 0.504 ' HD3' ' HB ' ' C' ' 148' ' ' VAL . 93.2 Cg_endo . . . . . 0 C--O 1.252 1.224 0 C-N-CA 122.018 1.812 . . . . 0.0 112.066 174.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.249 0 CA-C-O 120.318 -0.157 . . . . 0.0 112.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.42 102.96 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 120.979 0.419 . . . . 0.0 110.356 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.26 3.47 4.13 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.474 -177.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -142.94 72.75 1.38 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.21 0.528 . . . . 0.0 109.948 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -76.09 -9.73 85.39 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.387 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -52.07 -45.3 64.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.744 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -69.62 -6.56 32.07 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.102 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.5 -25.75 28.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 0.0 110.303 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -100.73 5.47 43.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.049 0.452 . . . . 0.0 110.105 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.0 t -122.34 124.49 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.4 p -100.89 159.99 14.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.747 0.308 . . . . 0.0 111.353 -175.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -62.91 -38.73 92.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.53 -43.83 80.23 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.635 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.76 -46.11 77.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.909 0.385 . . . . 0.0 110.225 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.591 ' O ' HG22 ' A' ' 604' ' ' VAL . 44.5 mtm180 -62.83 -41.21 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.686 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.8 m -56.63 -41.75 77.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.22 0.533 . . . . 0.0 110.747 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.527 ' HE2' HG21 ' C' ' 148' ' ' VAL . 33.7 m80 -65.56 -40.33 92.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.29 -43.54 90.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.648 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 600' ' ' ARG . 2.8 t -59.69 -40.73 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.61 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.468 ' HB2' ' HA3' ' C' ' 147' ' ' GLY . 26.2 m80 -61.71 -40.7 95.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.595 176.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.686 ' HD2' ' HA ' ' C' ' 145' ' ' ALA . 46.7 mtpt -63.64 -39.5 94.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 176.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.79 -47.99 80.98 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.795 176.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.53 -47.21 93.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 605' ' ' HIS . 27.7 mt-30 -56.32 -38.66 71.61 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.032 0.444 . . . . 0.0 111.363 -177.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.66 79.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.743 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 50.9 mt -89.51 -35.0 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.519 -176.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.91 99.66 41.13 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.028 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . 0.499 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 59.4 Cg_endo -70.4 -42.15 2.95 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 122.392 2.061 . . . . 0.0 113.222 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 41.6 p -105.66 86.28 1.76 Allowed Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 41.6 Cg_exo -59.04 150.06 75.62 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.002 1.802 . . . . 0.0 112.287 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -137.86 126.99 14.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.152 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.71 -33.36 93.63 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.572 2.848 . . . . 0.0 113.774 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . 0.588 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.85 -19.25 24.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.718 0.294 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.37 -37.29 66.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.516 0.674 . . . . 0.0 109.872 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.59 -20.5 65.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.542 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.588 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -100.17 7.82 44.28 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -95.94 145.26 25.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -58.73 -40.67 84.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -65.93 -50.67 63.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 111.148 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -40.05 90.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.028 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.65 -40.71 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.616 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.27 -37.77 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.028 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.85 -44.22 93.8 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.394 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.01 -37.32 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.101 0.477 . . . . 0.0 109.901 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.72 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.429 0.633 . . . . 0.0 109.555 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.42 ' CZ ' ' HA2' ' B' ' 842' ' ' GLY . 23.9 t80 -62.28 -41.75 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.727 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.47 98.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . 0.456 ' HD3' ' C ' ' A' ' 633' ' ' LYS . 4.2 tmtm? -64.35 -42.77 96.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.085 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.467 ' HB2' ' HZ2' ' A' ' 634' ' ' LYS . 10.0 mtmp? -64.25 -42.84 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.56 -48.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.15 -42.62 86.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.22 -40.39 96.68 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.63 -46.44 87.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.651 0.262 . . . . 0.0 110.549 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.15 -40.48 94.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -55.56 -39.89 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.586 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.0 -42.28 94.61 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.682 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 15.1 m -90.01 -25.86 20.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.188 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.69 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.127 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . 0.428 ' C ' ' HG ' ' A' ' 645' ' ' SER . 2.5 p-10 46.16 23.6 0.21 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.85 0.86 . . . . 0.0 112.9 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' SER . . . . . 0.428 ' HG ' ' C ' ' A' ' 644' ' ' ASN . 16.5 m -157.06 154.41 29.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -65.32 -51.15 62.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 0.0 111.626 -175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.01 -40.7 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.312 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.06 -38.22 90.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -62.7 -50.04 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.856 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.785 ' HH ' ' N ' ' C' ' 142' ' ' SER . 75.8 t80 -64.93 -41.46 95.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -64.35 -39.54 94.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.354 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.77 -39.5 94.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.649 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 41.2 mt -63.19 -40.95 98.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.783 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.34 97.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.264 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.59 -49.56 72.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 29.9 ttmt -67.11 -40.51 86.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.507 -173.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -61.3 -40.94 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.885 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -65.93 -38.63 89.16 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 122.317 -0.239 . . . . 0.0 110.945 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.32 -50.21 70.18 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.31 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.458 ' CG2' HD11 ' B' ' 845' ' ' LEU . 69.0 mt -65.44 -49.38 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.987 0.422 . . . . 0.0 110.388 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.459 ' HA ' HD12 ' A' ' 664' ' ' LEU . 40.9 tt0 -55.02 -40.45 70.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.211 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.4 -47.87 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.157 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -65.24 -38.51 90.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.775 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 661' ' ' GLN . 95.2 mt -54.48 -40.72 68.75 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.478 177.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.1 -49.24 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.67 -43.24 89.92 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.662 -175.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.629 ' HE3' ' SD ' ' B' ' 850' ' ' MET . 1.1 ptpm? -64.85 -40.35 95.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.048 0.451 . . . . 0.0 110.44 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -72.86 -22.26 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.28 0.562 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -75.84 -28.35 58.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.35 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 31.1 t -100.91 -12.83 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.734 0.302 . . . . 0.0 111.015 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -168.67 72.03 0.09 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.332 0.587 . . . . 0.0 110.626 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . 0.409 ' C ' HD21 ' A' ' 672' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.238 -0.887 . . . . 0.0 112.045 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 121.008 0.433 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -75.55 -19.66 59.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.986 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . 0.42 ' HA2' ' CZ ' ' A' ' 631' ' ' TYR . . . 143.29 77.07 0.04 OUTLIER Glycine 0 N--CA 1.434 -1.461 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.607 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.446 ' N ' HD21 ' B' ' 843' ' ' ASN . 0.9 OUTLIER -110.54 -70.17 0.83 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.674 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.77 146.05 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.458 HD11 ' CG2' ' A' ' 660' ' ' ILE . 3.7 mt -77.34 124.24 86.96 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.857 0.36 . . . . 0.0 111.294 -173.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 20.2 Cg_exo -65.94 169.22 13.73 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.024 2.483 . . . . 0.0 112.625 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.5 p -55.48 -40.79 72.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.678 0.275 . . . . 0.0 111.46 -176.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.67 -51.88 61.76 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.797 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.4 mm -67.45 -43.47 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.228 0.537 . . . . 0.0 110.927 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.629 ' SD ' ' HE3' ' A' ' 667' ' ' LYS . 3.6 mmt -64.56 -46.85 81.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.683 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.42 -39.98 81.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.589 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -64.64 -49.71 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.193 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.3 -38.97 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.252 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.0 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.93 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -91.59 34.9 0.96 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.252 0.548 . . . . 0.0 110.885 -175.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -93.56 166.94 12.0 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 12.4 m -109.92 98.71 35.51 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 172.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 122.753 2.302 . . . . 0.0 111.934 -179.793 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.228 0.537 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.5 m -64.46 -31.41 72.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.332 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 88.5 t -52.05 -50.64 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.942 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 35.8 p -78.67 26.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.64 -39.84 74.39 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -58.02 -45.4 86.99 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.878 -0.146 . . . . 0.0 111.217 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -64.0 -42.02 97.3 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.797 0.332 . . . . 0.0 110.39 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 35.1 mmtm -62.16 -41.8 98.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.988 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.578 ' O ' HG12 ' C' ' 127' ' ' ILE . 28.7 ttm180 -59.67 -43.48 93.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.019 176.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -60.74 -41.72 95.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.267 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.16 -41.23 92.37 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.021 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.63 ' O ' ' HG3' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -64.63 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.0 109.894 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.454 HD22 HG12 ' C' ' 127' ' ' ILE . 0.8 OUTLIER -67.8 -38.29 83.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.146 -177.518 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 33.9 t -53.64 -34.0 57.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.186 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -164.95 85.65 0.41 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 112.164 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' C' ' 127' ' ' ILE . 5.9 mtp180 -113.51 124.7 30.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 166.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.51 -37.92 43.26 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.154 2.569 . . . . 0.0 112.842 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' C' ' 138' ' ' LEU . 12.2 t80 -58.01 -47.26 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.544 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.49 -41.17 93.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.66 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -57.16 -59.59 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.351 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 27.4 pt -66.97 -38.42 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.343 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' C' ' 134' ' ' TYR . 10.5 tp -57.22 -47.16 82.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.393 0.616 . . . . 0.0 111.686 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -56.71 -49.13 76.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.492 -176.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.35 -48.05 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.449 0.642 . . . . 0.0 111.104 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.506 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 11.2 tp -57.19 -42.18 80.75 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.61 -1.177 . . . . 0.0 112.838 -171.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.785 ' N ' ' HH ' ' A' ' 650' ' ' TYR . 6.8 p -68.9 -30.21 68.64 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -174.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 6.6 m -110.07 50.26 0.81 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.724 0.297 . . . . 0.0 110.228 -173.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . 0.59 ' O ' ' HD3' ' C' ' 146' ' ' PRO . 27.1 t70 170.67 83.14 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.432 -173.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.686 ' HA ' ' HD2' ' A' ' 606' ' ' LYS . . . -105.69 75.02 0.31 Allowed Pre-proline 0 CA--C 1.559 1.295 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . 0.59 ' HD3' ' O ' ' C' ' 144' ' ' ASP . 3.6 Cg_exo -72.48 158.92 50.3 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 124.621 3.548 . . . . 0.0 113.605 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.468 ' HA3' ' HB2' ' A' ' 605' ' ' HIS . . . 134.78 81.96 0.16 Allowed Glycine 0 C--N 1.341 0.861 0 C-N-CA 119.963 -1.113 . . . . 0.0 114.037 171.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.527 HG21 ' HE2' ' A' ' 602' ' ' HIS . 2.3 t -105.03 -53.98 0.1 OUTLIER Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -169.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo . . . . . 0 C--O 1.247 0.974 0 C-N-CA 122.436 2.09 . . . . 0.0 112.853 -175.389 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.387 0 N-CA-C 111.889 -0.485 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.71 138.42 23.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.289 0.566 . . . . 0.0 111.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.0 52.84 1.03 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 172.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -143.02 86.08 1.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.773 -172.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -50.2 -43.75 42.64 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.972 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -57.37 -34.45 68.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.426 ' HD2' ' OH ' ' A' ' 640' ' ' TYR . 57.7 t-80 -70.29 -25.19 63.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.765 0.317 . . . . 0.0 110.517 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.8 -19.25 59.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.287 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -84.45 3.64 35.29 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.857 0.361 . . . . 0.0 110.803 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 60.8 t -127.94 125.06 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.3 p -99.0 154.22 18.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.157 0.504 . . . . 0.0 111.739 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -63.32 -36.82 84.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.372 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -55.9 -40.81 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.039 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.403 HD12 ' HB2' ' C' ' 145' ' ' ALA . 61.2 tp -57.54 -49.66 75.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.851 176.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.54 ' O ' HG23 ' A' ' 604' ' ' VAL . 56.0 mtm180 -62.9 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 20.0 m -57.97 -40.8 81.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.795 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.46 ' CE1' ' HA3' ' C' ' 147' ' ' GLY . 24.1 m80 -65.55 -40.79 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.488 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.45 -48.03 74.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.218 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -58.59 -40.65 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.066 0.46 . . . . 0.0 110.173 177.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 20.0 t-80 -62.07 -41.33 98.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.629 ' HZ2' ' CD1' ' C' ' 141' ' ' LEU . 68.2 mttm -59.61 -39.99 86.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.677 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -46.11 90.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.895 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.94 -47.36 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.385 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.3 mm100 -55.5 -37.39 67.8 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.082 0.467 . . . . 0.0 110.898 -177.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.27 71.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.5 mt -90.33 -39.63 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.206 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.404 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -124.09 102.83 33.79 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.9 Cg_endo -64.05 -36.02 50.73 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 122.603 2.202 . . . . 0.0 113.321 -176.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.4 t -141.69 105.38 5.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 121.405 0.621 . . . . 0.0 110.632 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.23 132.61 53.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.237 2.625 . . . . 0.0 113.038 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.23 137.02 20.33 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.532 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -47.04 -47.76 16.05 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.074 2.516 . . . . 0.0 113.285 -174.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.27 -25.38 54.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.616 0.246 . . . . 0.0 111.354 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 625' ' ' MET . . . -72.72 -40.63 65.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.003 0.43 . . . . 0.0 110.109 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 3.7 mt -58.08 -36.6 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.211 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -93.44 12.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 -177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -98.39 155.34 17.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.52 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 623' ' ' ARG . 2.1 tmt_? -55.2 -38.65 68.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 0.0 110.091 174.183 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.702 ' HA ' ' OD1' ' A' ' 627' ' ' ASN . 30.4 mmt180 -57.67 -38.69 75.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.964 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.584 ' O ' HG21 ' A' ' 629' ' ' VAL . 17.3 tpt -60.25 -43.23 96.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.061 175.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.28 -48.91 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -176.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . 0.702 ' OD1' ' HA ' ' A' ' 624' ' ' ARG . 2.2 p-10 -65.37 -38.66 90.73 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.887 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.7 -50.04 75.1 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.531 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 625' ' ' MET . 5.9 t -59.51 -37.4 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.394 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.32 82.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.52 -44.05 84.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.144 175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.75 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.268 0.556 . . . . 0.0 109.928 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -51.09 67.53 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.18 -45.04 88.24 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.934 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.571 ' O ' ' HG2' ' A' ' 639' ' ' MET . 71.6 t -57.9 -49.18 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.947 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.01 -40.73 77.22 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.955 0.407 . . . . 0.0 110.3 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.99 92.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.398 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.86 -39.72 91.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.812 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.571 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.4 mmt -57.09 -50.83 71.58 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.426 ' OH ' ' HD2' ' A' ' 592' ' ' HIS . 19.5 t80 -60.67 -39.7 89.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.039 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.31 -39.9 93.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.86 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 30.4 p -94.51 -47.95 6.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -171.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . 0.559 ' HA ' ' OE2' ' A' ' 648' ' ' GLU . . . -53.64 -60.94 2.66 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.712 0.405 . . . . 0.0 111.902 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.96 -9.7 0.45 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.701 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.0 m -132.53 147.22 52.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 647' ' ' ASP . 36.6 ptt180 -61.16 -49.56 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 646' ' ' ARG . 10.8 p-10 -63.2 -45.42 91.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.282 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.559 ' OE2' ' HA ' ' A' ' 643' ' ' ALA . 38.1 tt0 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.265 176.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.25 -49.99 75.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.729 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.724 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 83.2 t80 -65.66 -44.45 86.25 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.88 -42.9 76.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.188 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.25 -41.26 94.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.6 -43.44 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.46 86.18 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 121.014 0.435 . . . . 0.0 110.776 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.581 ' OE1' HD21 ' C' ' 128' ' ' LEU . 15.1 tp10 -61.97 -39.79 93.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.183 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -65.71 -47.92 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.871 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -64.05 -39.66 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.958 -175.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 1.221 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 7.0 t80 -64.55 -39.59 94.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.071 0.396 . . . . 0.0 110.708 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 659' ' ' LYS . 0.2 OUTLIER -55.51 -47.07 76.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.332 179.208 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.469 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 71.6 mt -65.8 -50.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 110.106 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.407 ' HA ' HD11 ' A' ' 664' ' ' LEU . 23.6 tp60 -55.01 -48.07 73.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.864 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . 1.221 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 56.8 mtpt -64.48 -39.36 93.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.36 . . . . 0.0 110.72 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.48 -40.72 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.057 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 86.5 mt -59.28 -47.38 85.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.573 176.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.58 -49.8 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.169 -173.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -56.73 -40.27 75.43 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.483 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 22.0 pttm -64.95 -37.2 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.253 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -74.4 -25.62 59.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.118 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 -60.52 -39.07 86.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 174.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 14.5 m -88.1 2.89 50.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.909 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 63.0 156.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.321 -175.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.569 173.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -118.84 92.21 3.75 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.947 -175.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 78.11 118.27 0.21 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.025 -0.607 . . . . 0.0 113.052 176.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.24 14.91 14.89 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 11.4 mt -107.28 144.49 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.723 -176.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.54 HD23 ' O ' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -79.42 158.3 74.08 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.764 -178.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.45 168.34 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.569 2.18 . . . . 0.0 113.017 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 t -57.43 -38.53 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.2 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.44 -48.56 65.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.182 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 7.6 mm -66.18 -40.32 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.218 0.532 . . . . 0.0 110.333 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.458 ' O ' HG13 ' B' ' 853' ' ' VAL . 3.6 mmt -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.623 -177.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.17 -39.12 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.573 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 624' ' ' ARG . 44.9 t80 -62.58 -49.18 76.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.441 -178.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.458 HG13 ' O ' ' B' ' 850' ' ' MET . 8.6 p -64.15 -38.36 82.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.915 0.388 . . . . 0.0 110.798 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.12 -38.49 86.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -82.58 -10.51 58.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.689 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -104.47 131.05 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.234 0.54 . . . . 0.0 112.011 -177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 67.6 m -117.54 93.66 43.83 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.666 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.291 2.66 . . . . 0.0 112.496 -177.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.737 0.303 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.6 m -82.21 -30.14 31.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.31 0.576 . . . . 0.0 110.014 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.85 -48.61 32.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.994 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 69.9 p -87.3 34.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.082 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.66 -43.73 98.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.985 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 21.1 t -58.17 -48.67 79.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.248 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.77 -42.79 98.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.018 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.57 -47.56 85.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.794 0.33 . . . . 0.0 110.283 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.684 ' O ' HG12 ' C' ' 127' ' ' ILE . 25.8 ttm180 -54.98 -47.1 75.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.344 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -58.3 -43.81 88.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.472 . . . . 0.0 110.341 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.17 -39.37 69.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.56 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.684 HG12 ' O ' ' C' ' 124' ' ' ARG . 1.7 pt -63.32 -40.21 88.2 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.096 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.581 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.0 mm? -62.46 -42.92 99.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.183 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -55.74 -24.72 36.73 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.768 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -142.62 59.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 109.766 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.574 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 1.4 tpm_? -112.67 99.61 48.17 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.175 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.489 ' O ' ' HB2' ' C' ' 136' ' ' LYS . 76.9 Cg_exo -51.48 -45.25 38.69 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.394 2.73 . . . . 0.0 113.748 -177.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.539 ' CD1' HD11 ' C' ' 128' ' ' LEU . 58.3 t80 -61.53 -46.26 90.71 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.763 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -61.87 -41.6 98.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.727 0.299 . . . . 0.0 110.611 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' C' ' 132' ' ' PRO . 8.2 tmtt? -59.14 -56.55 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.8 pt -67.24 -35.28 73.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.679 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.601 ' HA ' ' OH ' ' A' ' 650' ' ' TYR . 13.9 tp -57.39 -50.16 73.87 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 123.014 0.196 . . . . 0.0 111.229 -177.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.66 -52.61 50.37 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.96 -49.35 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.456 0.646 . . . . 0.0 112.076 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.722 ' HB3' ' HH ' ' A' ' 650' ' ' TYR . 24.1 tp -64.06 -37.82 88.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.574 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.724 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 84.9 p -70.2 1.13 5.12 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t -67.66 33.13 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' C' ' 142' ' ' SER . 20.9 t70 73.76 65.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.223 1.009 . . . . 0.0 109.214 176.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' ' 599' ' ' LEU . . . -5.32 92.71 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.158 0 O-C-N 125.021 1.451 . . . . 0.0 113.365 -171.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.24 125.62 18.03 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.152 2.568 . . . . 0.0 113.634 -168.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.46 ' HA3' ' CE1' ' A' ' 602' ' ' HIS . . . -158.49 -88.16 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.373 174.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 3.0 t 71.92 109.54 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 121.037 0.446 . . . . 0.0 110.318 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.954 2.436 . . . . 0.0 111.873 177.784 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 120.221 -0.211 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.21 96.93 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 117.141 0.47 . . . . 0.0 110.684 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.535 ' NE ' ' HA ' ' A' ' 588' ' ' ARG . 0.4 OUTLIER 50.09 -101.83 0.1 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.895 -177.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.457 ' HG2' ' HG3' ' A' ' 588' ' ' ARG . 2.1 mmmm -129.97 94.72 3.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 174.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -52.39 -37.72 49.06 Favored Glycine 0 C--N 1.331 0.253 0 O-C-N 123.618 0.574 . . . . 0.0 112.663 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . 0.657 ' HA ' ' NH1' ' A' ' 646' ' ' ARG . 1.2 m95 -50.88 -49.59 58.89 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 122.591 0.356 . . . . 0.0 111.25 174.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -62.55 -22.61 66.46 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.172 0.589 . . . . 0.0 111.847 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.82 -13.02 60.28 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.461 -170.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -106.34 2.43 26.58 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.052 0.454 . . . . 0.0 110.237 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 83.0 t -118.77 126.05 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 29.0 p -105.15 166.88 10.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.873 0.368 . . . . 0.0 111.814 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -64.34 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.589 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.48 -39.97 92.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.219 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 38.4 tp -57.86 -43.7 86.09 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 604' ' ' VAL . 93.9 mtt180 -61.38 -42.82 99.33 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.374 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.6 m -55.9 -39.76 72.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -64.72 -41.18 96.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.176 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.14 -44.1 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.93 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -61.89 -40.94 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-O 121.17 0.509 . . . . 0.0 109.942 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.458 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 14.1 t60 -60.09 -45.54 92.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.602 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.446 ' HD3' HD11 ' C' ' 141' ' ' LEU . 96.2 mttt -60.72 -37.27 81.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.568 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -48.21 78.81 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.42 -43.83 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.5 mm100 -55.9 -38.42 70.19 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.038 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.35 -36.58 71.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.565 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 14.5 mt -85.3 -31.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.396 -173.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -151.0 114.95 3.16 Favored Pre-proline 0 N--CA 1.47 0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 110.774 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.13 -30.27 88.68 Favored 'Trans proline' 0 N--CA 1.479 0.619 0 C-N-CA 123.461 2.774 . . . . 0.0 114.273 -174.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.9 t -135.04 102.97 10.81 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.408 0.623 . . . . 0.0 111.695 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.87 130.16 21.2 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.012 2.474 . . . . 0.0 112.481 177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -75.93 152.92 84.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . 0.414 ' HA ' HD13 ' A' ' 620' ' ' LEU . 31.5 Cg_exo -57.3 -32.77 94.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.616 2.211 . . . . 0.0 112.333 178.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.37 -19.92 35.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 110.794 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -39.62 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.451 . . . . 0.0 110.482 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 617' ' ' PRO . 2.5 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.657 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -100.1 6.83 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -86.59 129.09 35.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.932 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -61.04 -38.02 84.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.07 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -64.73 -40.11 94.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.121 0.486 . . . . 0.0 109.832 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.427 ' O ' HG21 ' A' ' 629' ' ' VAL . 2.0 tmt? -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.717 175.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -55.71 -42.65 75.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 175.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -58.21 -39.74 79.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.387 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.461 HD12 ' CG2' ' B' ' 849' ' ' ILE . 25.3 tp -64.68 -43.77 92.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 625' ' ' MET . 2.6 t -59.51 -36.98 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 120.955 0.407 . . . . 0.0 109.973 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.26 96.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.984 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.41 -43.53 94.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.129 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.76 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.132 0.492 . . . . 0.0 110.199 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -64.9 -44.25 90.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.322 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -60.76 -49.27 78.17 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.768 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.78 -47.45 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.998 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -47.12 78.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.17 -50.05 53.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.17 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.7 -38.68 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.42 -0.39 . . . . 0.0 111.134 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.457 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 41.2 tpp -60.07 -49.53 77.28 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.004 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -57.52 -37.17 72.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.597 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.791 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 14.3 m -91.03 -30.67 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.693 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.32 2.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 122.788 0.435 . . . . 0.0 112.078 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.6 t30 72.56 -28.83 0.19 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.9 m -128.04 160.26 32.5 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.045 -0.409 . . . . 0.0 110.291 -172.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . 0.657 ' NH1' ' HA ' ' A' ' 591' ' ' TRP . 0.0 OUTLIER -66.27 -51.07 61.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 111.679 -175.363 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.5 -41.99 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.466 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.95 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.719 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.89 -49.7 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.266 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.678 ' HH ' ' N ' ' C' ' 142' ' ' SER . 83.5 t80 -64.95 -45.12 87.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.017 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -64.19 -41.24 97.17 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 -174.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.457 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 70.2 mt -65.09 -40.92 95.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.309 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 66.8 mt -66.78 -42.58 85.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.689 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.58 -43.87 96.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.942 0.401 . . . . 0.0 110.74 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.477 ' OE2' HD23 ' C' ' 128' ' ' LEU . 42.6 tt0 -64.05 -40.0 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 176.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -64.7 -50.72 65.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.744 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.4 pt -66.32 -38.74 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.693 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.666 ' OH ' ' HD3' ' C' ' 131' ' ' ARG . 32.7 t80 -65.17 -49.3 70.33 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 120.537 0.208 . . . . 0.0 111.494 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.96 -43.85 86.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.583 -175.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.538 HD11 HD11 ' B' ' 845' ' ' LEU . 24.7 mt -69.19 -48.59 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 0.0 110.505 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -55.09 -44.6 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -56.64 -42.87 79.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.321 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 5.9 tp10 -65.53 -47.49 75.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.583 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.95 -39.51 74.7 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.38 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.8 -48.42 81.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.43 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -39.72 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.31 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 68.5 mttm -56.56 -47.06 80.28 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.645 0.259 . . . . 0.0 111.305 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.72 -21.36 52.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -74.65 -22.47 58.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 23.3 t -105.47 -3.31 22.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -160.83 61.5 0.3 Allowed 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.798 0.809 . . . . 0.0 110.241 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.251 1.173 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.721 178.475 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -47.15 -18.48 0.09 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.85 135.29 8.85 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.054 173.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.479 ' O ' HD13 ' A' ' 660' ' ' ILE . 10.8 m120 -70.63 -48.25 55.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.529 0.204 . . . . 0.0 110.593 177.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . 0.444 ' HA ' HG12 ' A' ' 660' ' ' ILE . 3.1 mt -103.7 151.13 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.394 -169.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.538 HD11 HD11 ' A' ' 660' ' ' ILE . 1.4 mt -80.82 147.32 62.01 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.66 151.17 86.32 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.964 2.443 . . . . 0.0 112.402 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.2 m -55.39 -39.62 70.38 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.408 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -59.91 -41.42 91.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.775 0.321 . . . . 0.0 111.515 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 628' ' ' LEU . 9.8 mm -65.07 -40.97 90.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.48 ' HE2' ' HA ' ' B' ' 850' ' ' MET . 0.0 OUTLIER -58.44 -40.63 83.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 174.503 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 37.9 m-20 -55.24 -42.9 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.579 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -65.83 -52.2 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.301 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.75 -44.63 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.577 -176.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.3 -46.58 76.47 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -73.64 -60.17 2.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.014 -167.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -172.81 141.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.682 -171.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 26.7 m -116.63 103.93 51.99 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 171.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo . . . . . 0 C--O 1.245 0.848 0 C-N-CA 122.826 2.35 . . . . 0.0 112.665 -175.081 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 120.422 0.153 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.4 m -74.48 -34.42 63.11 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.952 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.0 -63.16 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.331 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 77.8 p -92.59 22.68 4.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 110.692 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -56.41 -46.37 80.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 13.2 m -57.06 -49.32 76.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -64.83 -50.43 66.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.567 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -65.14 -52.37 55.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.27 -173.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.553 ' O ' HG12 ' C' ' 127' ' ' ILE . 6.6 ttp180 -64.93 -42.54 94.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.124 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -56.75 -38.31 72.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.398 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.17 -41.29 71.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.175 -174.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.663 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 6.0 pt -66.61 -41.92 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.135 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.477 HD23 ' OE2' ' A' ' 655' ' ' GLU . 1.1 mm? -65.04 -38.14 89.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.445 -171.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 20.5 t -55.33 -17.1 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.15 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.79 45.43 2.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.666 ' HD3' ' OH ' ' A' ' 658' ' ' TYR . 4.2 mmp_? -112.47 102.86 54.99 Favored Pre-proline 0 N--CA 1.465 0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.478 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.19 -58.22 0.22 Allowed 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.833 2.355 . . . . 0.0 112.722 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -61.89 -48.55 80.0 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.154 174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . 0.457 ' C ' ' HD3' ' C' ' 135' ' ' ARG . 2.7 tmt_? -62.39 -42.83 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.701 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -52.87 -58.88 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.459 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.7 pt -69.11 -31.97 52.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.937 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . . . . . . . . . 14.9 tp -57.93 -45.05 87.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.241 0.543 . . . . 0.0 110.846 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -66.58 -52.59 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.937 0.399 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.88 -47.14 72.75 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.483 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 8.7 tp -62.03 -36.71 82.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.437 -170.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.678 ' N ' ' HH ' ' A' ' 650' ' ' TYR . 8.4 p -76.53 -1.95 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 21.2 t -43.19 -52.73 5.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -162.76 54.75 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.61 105.9 0.56 Allowed Pre-proline 0 N--CA 1.47 0.539 0 O-C-N 122.237 -0.29 . . . . 0.0 110.565 161.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -67.61 127.82 17.03 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.857 2.372 . . . . 0.0 112.434 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.44 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -154.53 -137.55 2.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.558 175.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 41.7 t 72.35 114.26 0.03 OUTLIER Pre-proline 0 C--O 1.235 0.303 0 C-N-CA 122.967 0.507 . . . . 0.0 111.658 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.251 1.145 0 C-N-CA 122.737 2.291 . . . . 0.0 112.056 179.133 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.909 0 CA-C-O 119.741 -0.477 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 6.7 m -76.95 102.65 3.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 118.324 1.062 . . . . 0.0 111.102 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -100.66 -67.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -164.5 58.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.732 0.777 . . . . 0.0 109.365 172.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -111.77 7.58 27.78 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.602 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -56.41 -21.02 22.31 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -64.53 -26.45 68.42 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 110.849 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.3 -25.85 62.34 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -83.35 -5.64 59.21 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.927 0.394 . . . . 0.0 110.75 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 53.6 t -120.47 105.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.9 p -98.75 165.88 11.58 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.607 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.421 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -57.64 -37.67 73.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.771 173.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -55.62 -47.38 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' C' ' 147' ' ' GLY . 47.2 tp -59.78 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.688 176.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.515 ' O ' HG22 ' A' ' 604' ' ' VAL . 37.3 mmm-85 -63.02 -49.67 73.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 10.9 t -58.25 -39.85 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.481 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -64.45 -40.01 94.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.525 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 18.5 mt -65.26 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.298 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 600' ' ' ARG . 2.0 t -64.61 -41.26 91.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.379 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.04 -49.12 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 21.7 ptmt -61.68 -36.98 82.41 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -46.37 86.23 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.47 -45.16 98.61 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.825 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -55.76 -37.87 69.1 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.23 85.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.552 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.437 HG12 HG23 ' A' ' 660' ' ' ILE . 12.7 mt -84.47 -37.84 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.081 -176.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.83 104.82 9.79 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.07 -41.48 22.38 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 122.737 2.291 . . . . 0.0 113.775 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -155.07 90.53 2.99 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.798 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.91 147.08 26.67 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.686 2.257 . . . . 0.0 111.038 173.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.14 156.6 66.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.261 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.33 -38.12 61.86 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.511 2.141 . . . . 0.0 113.638 -173.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.77 -23.15 49.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.953 0.406 . . . . 0.0 110.58 -174.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.23 63.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.389 0.614 . . . . 0.0 110.013 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.7 mt -66.22 -25.44 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.588 -171.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -87.22 -6.25 58.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.356 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.539 ' OD1' ' HG2' ' A' ' 624' ' ' ARG . 14.5 t70 -95.23 155.31 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.51 0.672 . . . . 0.0 111.16 -172.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . 0.46 ' HA ' ' OE1' ' A' ' 626' ' ' GLU . 38.5 ttm180 -58.08 -37.11 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.512 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.539 ' HG2' ' OD1' ' A' ' 622' ' ' ASP . 31.4 ptt180 -58.24 -41.36 84.01 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.855 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 77.1 mmm -67.34 -39.56 85.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.45 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 623' ' ' ARG . 50.3 mt-10 -54.74 -40.49 69.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.683 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -62.03 -37.46 84.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 18.1 tp -61.0 -44.48 97.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.228 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.08 -38.2 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.266 0.555 . . . . 0.0 109.996 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.593 ' HH ' ' HA ' ' B' ' 845' ' ' LEU . 73.9 t80 -61.02 -43.14 99.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.246 177.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.47 95.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.053 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.91 -47.41 83.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.323 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . 0.408 ' HZ2' ' HB3' ' A' ' 634' ' ' LYS . 9.0 mtpm? -64.58 -45.66 86.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.027 -178.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.4 -47.86 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.71 -39.06 87.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.208 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.7 -39.3 97.36 Favored Glycine 0 C--O 1.235 0.181 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.548 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.41 -39.95 85.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.421 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 21.6 mmt -59.23 -44.13 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -174.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.73 -39.79 74.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.253 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.53 -40.62 95.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -175.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.8 p -94.47 -29.05 15.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.039 0.447 . . . . 0.0 111.0 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.3 -67.53 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.784 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 64.0 t30 48.04 25.76 0.86 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.536 0.523 . . . . 0.0 112.12 -174.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 7.7 m -153.47 147.65 25.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -64.8 -47.09 79.35 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.13 -45.64 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.594 0.235 . . . . 0.0 110.984 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.12 -37.53 87.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.65 -49.29 75.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.57 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.528 ' HH ' ' HA ' ' C' ' 138' ' ' LEU . 64.5 t80 -64.97 -40.48 95.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -61.29 -40.96 96.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.321 -177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . 0.421 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 54.5 mt -65.78 -39.54 91.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.493 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.438 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . 0.412 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -58.12 -40.76 82.05 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.413 0.625 . . . . 0.0 109.997 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.842 ' OE1' HD22 ' C' ' 128' ' ' LEU . 12.6 tp10 -61.48 -42.1 98.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.347 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.98 -48.94 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.441 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . 0.412 HG12 ' HA ' ' A' ' 654' ' ' ALA . 37.6 pt -63.37 -40.99 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.131 -174.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.15 -38.83 91.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.209 0.458 . . . . 0.0 110.938 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.511 ' HB2' ' NZ ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -57.86 -44.31 86.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.536 HG12 HD12 ' B' ' 845' ' ' LEU . 59.2 mt -64.46 -51.52 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.273 0.559 . . . . 0.0 110.432 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . 0.434 ' HA ' HD13 ' A' ' 664' ' ' LEU . 8.5 tt0 -55.37 -41.04 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.146 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -57.01 -49.11 76.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.824 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.08 -39.55 93.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.472 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 661' ' ' GLN . 85.5 mt -54.2 -49.19 69.97 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.283 0.563 . . . . 0.0 109.879 176.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.39 -46.96 74.88 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.121 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -41.54 87.51 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.578 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.413 ' HD3' ' HG ' ' B' ' 854' ' ' LEU . 58.4 tttp -62.95 -42.31 99.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 111.202 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -77.76 -32.43 52.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -71.53 -40.87 69.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.278 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 64.2 p -92.25 -20.49 21.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.664 0.269 . . . . 0.0 111.153 -174.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' A' ' 670' ' ' SER . 20.0 tpt180 70.17 133.74 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.314 -174.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.564 179.084 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.494 0.664 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -77.86 120.51 22.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.282 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 97.77 156.08 30.01 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.64 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.56 36.58 1.61 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.814 0.34 . . . . 0.0 111.068 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.6 mt -112.63 152.33 14.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.927 -175.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.593 ' HA ' ' HH ' ' A' ' 631' ' ' TYR . 3.6 mp -93.97 143.73 26.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 111.787 -170.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 154.7 72.5 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.6 2.2 . . . . 0.0 111.699 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -55.17 -49.99 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -171.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -54.96 -44.55 74.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -172.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.2 mm -64.22 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.17 0.51 . . . . 0.0 109.977 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.487 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 12.2 mmt -65.47 -40.42 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.972 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -59.15 -39.73 83.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.404 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 10.7 t80 -60.28 -50.5 73.4 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.265 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.77 -43.67 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.719 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.413 ' HG ' ' HD3' ' A' ' 667' ' ' LYS . 4.0 mm? -64.91 -38.56 91.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.494 0.188 . . . . 0.0 111.371 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.68 -10.97 60.36 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 110.797 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . 0.531 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 56.4 t30 -107.9 151.19 26.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 23.0 m -103.4 97.9 11.25 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 5.0 Cg_exo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.77 2.313 . . . . 0.0 111.571 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.883 0.373 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.6 m -68.12 -26.43 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.658 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.2 -50.12 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.486 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 31.1 p -72.71 -3.56 25.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 18.9 t70 -54.68 -41.66 70.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.71 173.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 34.8 t -61.27 -47.07 87.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.136 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.08 -47.97 78.01 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.047 0.451 . . . . 0.0 110.876 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 14.1 ptmt -62.29 -40.94 97.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.01 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.445 ' O ' HG12 ' C' ' 127' ' ' ILE . 1.2 tpp85 -62.69 -46.27 88.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.373 176.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -56.73 -38.33 72.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.889 -173.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -56.35 -39.69 73.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.707 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.714 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -64.49 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.842 HD22 ' OE1' ' A' ' 655' ' ' GLU . 3.9 mm? -63.29 -41.51 98.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -176.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -57.75 -16.4 11.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.17 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -119.8 30.38 7.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.458 0.647 . . . . 0.0 110.176 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.714 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 4.0 mmp_? -113.54 100.86 52.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.51 -41.38 65.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.576 2.184 . . . . 0.0 112.133 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.525 ' CD1' HD12 ' C' ' 128' ' ' LEU . 58.4 t80 -60.79 -44.7 96.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.953 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.16 -41.76 89.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.75 -54.97 20.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.03 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' C' ' 141' ' ' LEU . 45.9 pt -67.94 -27.44 37.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.975 -174.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.528 ' HA ' ' HH ' ' A' ' 650' ' ' TYR . 18.7 tp -58.28 -50.16 74.58 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.557 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.09 -51.51 37.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.155 0.502 . . . . 0.0 111.779 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -47.94 72.19 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.52 ' HG ' ' HZ3' ' A' ' 606' ' ' LYS . 37.1 tp -65.2 -40.99 94.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.247 -169.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 3.7 p -67.1 -33.82 76.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.645 -171.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m 32.19 38.06 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 38.4 t70 66.12 73.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -36.08 112.08 0.5 Allowed Pre-proline 0 N--CA 1.478 0.926 0 O-C-N 124.221 0.951 . . . . 0.0 111.788 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . 0.453 ' O ' ' HA ' ' A' ' 599' ' ' LEU . 37.0 Cg_endo -65.78 127.03 17.02 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.024 2.483 . . . . 0.0 112.822 -176.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.524 ' O ' ' HB2' ' A' ' 599' ' ' LEU . . . 129.52 91.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.634 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.504 ' HB ' ' HD3' ' C' ' 149' ' ' PRO . 4.1 t -148.03 -51.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.701 -0.294 . . . . 0.0 110.712 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . 0.504 ' HD3' ' HB ' ' C' ' 148' ' ' VAL . 3.7 Cg_exo . . . . . 0 C--O 1.25 1.113 0 C-N-CA 122.309 2.006 . . . . 0.0 111.587 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 111.579 -0.609 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . 0.523 ' O ' ' HG2' ' A' ' 588' ' ' ARG . 12.2 t -87.76 78.76 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . 0.577 ' C ' ' HD2' ' A' ' 589' ' ' LYS . 20.8 mmm180 -167.08 61.12 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.601 -171.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.577 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 2.2 mptm? -145.49 157.43 44.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 -166.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 133.46 -32.1 2.77 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.27 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -52.99 -61.36 2.35 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.892 0.877 . . . . 0.0 113.105 -173.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -63.99 0.64 0.84 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -88.39 -33.51 17.89 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.711 175.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -93.91 -12.04 29.72 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.46 124.62 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 77.2 p -85.05 153.68 22.57 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.973 -171.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -38.13 87.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.12 -49.96 72.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.7 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.93 -45.02 91.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.51 ' HB3' ' OE2' ' A' ' 636' ' ' GLU . 80.2 mtp180 -63.17 -48.5 78.15 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.105 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.4 t -57.34 -39.81 76.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.571 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -64.05 -40.69 96.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.021 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 653' ' ' LEU . 19.7 mt -65.61 -44.94 85.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.043 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 600' ' ' ARG . 2.2 t -57.73 -43.91 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.407 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 25.4 m80 -62.69 -42.57 99.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 177.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.613 ' HD3' ' CD1' ' C' ' 141' ' ' LEU . 67.6 mttm -60.03 -38.93 84.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.085 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -47.62 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.73 -44.36 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.281 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.1 mm100 -58.41 -38.02 76.52 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.834 0.349 . . . . 0.0 111.625 -176.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.31 90.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.466 0.651 . . . . 0.0 110.373 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.3 mt -84.28 -29.22 7.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.223 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.2 87.5 33.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.768 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.07 -34.64 89.68 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.452 2.102 . . . . 0.0 112.394 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.3 p -124.72 77.32 64.62 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.09 151.13 49.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.018 1.812 . . . . 0.0 111.72 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -111.4 133.81 21.33 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.32 -28.51 53.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.454 2.77 . . . . 0.0 114.1 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.75 -12.41 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 111.478 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.18 67.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.64 -22.01 12.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.553 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -80.8 -22.49 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.956 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.17 148.25 50.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.515 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -64.61 -40.79 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.362 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.526 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.442 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -64.19 -40.81 96.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 0.0 109.795 176.536 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -56.01 -40.78 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.75 175.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.23 -38.35 86.33 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 625' ' ' MET . 41.7 tp -60.79 -50.7 72.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.481 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.35 -37.96 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.394 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.28 94.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -58.19 -44.25 87.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.454 177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.79 96.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.217 0.532 . . . . 0.0 109.883 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.25 -46.79 85.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.845 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.9 -43.86 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.458 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 60.6 t -58.54 -42.53 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.598 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.51 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 4.2 tp10 -54.56 -42.79 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.8 -51.27 41.84 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.114 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.8 -38.3 88.59 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.938 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 44.5 tpp -62.74 -49.58 74.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.767 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -55.17 -39.65 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.163 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.81 -39.76 91.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.422 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.2 p -85.81 -49.74 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.482 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -50.62 -68.56 0.16 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.664 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.28 13.45 5.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.518 0.675 . . . . 0.0 111.324 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 17.1 m -153.6 150.92 29.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -65.54 -46.44 79.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.62 0.248 . . . . 0.0 111.301 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.29 -45.06 89.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.307 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.27 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.506 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.81 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.735 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 62.8 t80 -66.87 -45.71 77.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.467 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -61.58 -44.67 96.6 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.175 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.55 -40.78 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.723 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . 0.408 ' CD1' HD12 ' A' ' 603' ' ' LEU . 50.2 mt -66.72 -43.78 83.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.09 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.54 99.71 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.35 -40.58 93.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.53 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -64.27 -50.23 68.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.958 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 32.4 pt -66.02 -40.21 86.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.217 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . 0.555 ' HH ' ' HB3' ' C' ' 133' ' ' SEP . 8.1 t80 -66.35 -44.83 82.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.829 0.286 . . . . 0.0 110.848 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . 0.531 ' HZ1' ' HB2' ' A' ' 659' ' ' LYS . 4.9 ttmp? -54.15 -50.75 66.24 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.599 HG23 HD13 ' B' ' 845' ' ' LEU . 17.4 mt -70.42 -46.6 70.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 0.0 110.751 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -55.25 -40.49 70.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.52 -43.89 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.264 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.14 -41.74 97.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.269 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.578 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 94.9 mt -58.73 -40.08 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.301 177.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.99 -50.83 62.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.76 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -40.51 96.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.238 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -62.37 -35.02 77.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 178.112 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -65.86 -16.05 63.47 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' A' ' 669' ' ' ARG . 6.1 mmp_? -75.07 -18.05 60.36 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.048 0.451 . . . . 0.0 110.259 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 17.4 m -98.03 12.58 33.84 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.546 ' NE ' ' HA ' ' A' ' 671' ' ' ARG . 0.0 OUTLIER 92.97 144.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 113.973 -1.467 . . . . 0.0 109.139 178.421 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.249 1.041 0 O-C-N 123.415 0.447 . . . . 0.0 111.577 -174.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -93.31 12.72 23.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.18 0.514 . . . . 0.0 110.354 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 93.3 87.85 1.6 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.984 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.417 HD21 ' HA ' ' B' ' 843' ' ' ASN . 0.8 OUTLIER -65.81 -31.7 72.81 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.693 0.282 . . . . 0.0 110.748 -178.845 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.1 mt -106.92 148.7 11.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.178 -173.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.599 HD13 HG23 ' A' ' 660' ' ' ILE . 4.2 mt -78.19 128.57 77.95 Favored Pre-proline 0 C--O 1.233 0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.056 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.67 175.0 11.69 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.892 2.394 . . . . 0.0 113.185 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 15.1 m -55.47 -45.09 76.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -172.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.91 -49.13 69.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 24.0 mm -64.81 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 110.472 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 850' ' ' MET . . . . . 0.449 ' HE2' ' HA ' ' B' ' 850' ' ' MET . 9.3 mmt -64.47 -40.72 96.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.578 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.1 -45.01 94.1 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.429 HG13 HD23 ' B' ' 854' ' ' LEU . 7.9 p -64.22 -41.36 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.011 -176.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . 0.429 HD23 HG13 ' B' ' 853' ' ' VAL . 4.5 mm? -66.11 -38.4 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.55 0.214 . . . . 0.0 111.098 175.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -88.44 26.75 1.38 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.689 0.756 . . . . 0.0 110.512 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . 0.489 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 6.7 t30 -131.05 128.65 40.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.744 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 29.5 m -98.81 101.95 13.6 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 13.4 Cg_endo . . . . . 0 N--CA 1.451 -1.012 0 C-N-CA 123.241 2.628 . . . . 0.0 112.005 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . 0.402 ' CG ' ' HZ3' ' C' ' 123' ' ' LYS . 17.6 t70 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.967 0.413 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.7 m -64.1 -33.19 75.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.713 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . 0.409 ' C ' ' H ' ' C' ' 120' ' ' ASP . 99.4 t -68.06 -49.54 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.195 177.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 73.7 p -76.86 33.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.097 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 34.3 t70 -63.1 -44.63 95.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.094 0.473 . . . . 0.0 110.721 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -60.76 -48.91 79.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.562 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -57.59 -48.0 80.58 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 15.4 ptpt -59.42 -42.16 91.18 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.245 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.462 ' O ' HD21 ' C' ' 128' ' ' LEU . 79.1 ttt180 -53.56 -49.14 68.33 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.612 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -64.31 -43.45 94.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.02 0.438 . . . . 0.0 110.494 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.67 -42.44 71.36 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.601 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.696 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.2 pt -65.11 -42.43 94.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.55 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.475 HD22 ' CG1' ' C' ' 127' ' ' ILE . 2.4 mm? -64.56 -46.43 82.83 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.583 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.6 m -57.62 -20.9 36.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' C' ' 130' ' ' ARG . 23.0 ttp85 -147.19 47.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.462 0.649 . . . . 0.0 111.069 -174.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.696 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 4.9 ttt180 -113.72 115.48 46.35 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.86 -0.525 . . . . 0.0 111.169 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.3 -67.76 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.944 3.096 . . . . 0.0 114.754 -171.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . 0.555 ' HB3' ' HH ' ' A' ' 658' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 66.5 t80 -62.2 -47.51 84.14 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -60.99 -41.08 95.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -51.42 -57.7 8.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.956 175.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 34.7 pt -71.47 -37.4 64.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.832 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.479 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 42.3 tp -53.52 -48.68 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.43 0.292 . . . . 0.0 111.585 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.33 -53.21 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.891 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.63 -48.0 68.02 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.384 0.612 . . . . 0.0 112.01 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.735 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 15.4 tp -60.98 -39.58 90.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.805 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 142' ' ' SER . . . . . 0.532 ' N ' ' HH ' ' A' ' 650' ' ' TYR . 92.3 p -80.53 -1.99 44.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.738 -176.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 69.5 m -76.62 37.87 0.18 Allowed 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' C' ' 142' ' ' SER . 23.4 t70 81.98 33.36 0.09 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.782 0.833 . . . . 0.0 109.466 173.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 36.08 95.25 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.438 0 CA-C-N 114.99 -1.005 . . . . 0.0 112.907 -167.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.58 125.35 15.37 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.532 1.488 . . . . 0.0 112.211 -175.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . 0.475 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -178.5 -82.25 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.567 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.4 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.475 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 2.7 t 72.08 117.98 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.502 -176.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.253 1.241 0 C-N-CA 123.201 2.601 . . . . 0.0 112.61 -178.189 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.741 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 14.3 t -84.66 69.08 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.965 0.888 . . . . 0.0 109.072 176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? 171.71 92.69 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 113.761 -1.563 . . . . 0.0 107.269 -174.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -155.67 121.47 5.02 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -142.52 26.81 2.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.902 -1.142 . . . . 0.0 112.972 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.26 -62.22 1.68 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.195 0.521 . . . . 0.0 111.563 -176.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' HIS . . . . . 0.434 ' O ' HG23 ' A' ' 596' ' ' THR . 59.4 m80 -86.68 -9.3 56.28 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.856 -176.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.22 -14.4 10.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -96.05 -19.64 19.29 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' VAL . . . . . 0.43 HG11 ' HH ' ' A' ' 640' ' ' TYR . 25.7 t -152.25 82.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.626 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 592' ' ' HIS . 9.9 p -99.87 152.62 19.94 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.152 172.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.28 -36.6 84.61 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.009 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ASP . . . . . 0.429 ' OD2' ' HB2' ' C' ' 146' ' ' PRO . 22.9 t70 -55.88 -45.95 78.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.462 178.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.518 ' CD1' ' HB3' ' C' ' 145' ' ' ALA . 49.5 tp -55.96 -49.63 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.596 176.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' ARG . . . . . 0.536 ' O ' HG21 ' A' ' 604' ' ' VAL . 76.5 mtp180 -65.73 -46.49 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.626 -178.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 31.2 t -55.87 -39.81 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' HIS . . . . . 0.527 ' CE1' ' HG2' ' C' ' 146' ' ' PRO . 14.1 m-70 -65.69 -39.91 91.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.448 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 20.5 mt -65.95 -42.91 89.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.528 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 600' ' ' ARG . 2.6 t -62.41 -40.57 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-O 121.122 0.487 . . . . 0.0 109.862 174.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -58.97 -40.81 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . 0.621 ' HD3' ' CD1' ' C' ' 141' ' ' LEU . 68.8 mttm -64.34 -37.55 87.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.194 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -41.98 95.29 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -46.95 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.838 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -55.98 -38.27 70.2 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.556 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.11 78.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.619 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' ILE . . . . . 0.495 HG23 ' ND2' ' B' ' 843' ' ' ASN . 41.4 mt -83.27 -37.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.625 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -152.19 117.98 3.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.966 -171.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.74 -43.62 7.0 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.165 2.576 . . . . 0.0 115.661 -172.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 6.1 t -170.7 117.14 0.47 Allowed Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 118.827 0.74 . . . . 0.0 112.645 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -88.74 158.14 6.21 Favored 'Trans proline' 0 N--CA 1.478 0.575 0 C-N-CA 124.211 3.274 . . . . 0.0 114.65 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.79 165.93 22.81 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.596 168.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.72 -35.21 57.21 Favored 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 122.475 2.117 . . . . 0.0 114.331 -175.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.7 -14.19 58.34 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.996 -0.44 . . . . 0.0 111.867 -171.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.88 -30.23 63.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.05 0.928 . . . . 0.0 110.395 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.95 -16.33 57.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.974 -1.466 . . . . 0.0 112.431 -172.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.1 OUTLIER -90.11 -9.08 49.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.072 0.463 . . . . 0.0 111.412 -173.652 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 28.0 t70 -76.23 136.78 39.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.955 -175.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.61 -37.84 85.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.141 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' ARG . . . . . 0.462 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 5.6 tpp180 -56.87 -32.81 66.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' MET . . . . . 0.644 ' HA ' ' CZ ' ' B' ' 852' ' ' PHE . 2.0 tmt? -49.15 -36.57 19.67 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.641 1.176 . . . . 0.0 112.68 -172.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.17 -38.12 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.438 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.12 -40.77 70.89 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -174.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.15 -48.74 72.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.828 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.44 -39.16 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.48 94.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 109.392 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' TYR . . . . . 0.428 ' O ' HG22 ' A' ' 635' ' ' VAL . 51.9 t80 -63.79 -43.54 96.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.626 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.31 94.22 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.261 -174.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -49.64 69.73 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.087 0.47 . . . . 0.0 110.384 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -55.4 -47.09 76.43 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.197 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' A' ' 639' ' ' MET . 67.8 t -56.85 -48.29 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 174.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.49 ' CD ' ' HH ' ' A' ' 649' ' ' TYR . 11.6 tp10 -55.87 -40.81 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.53 178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -59.42 -42.11 97.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.001 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -38.22 89.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.614 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.7 mmt -63.83 -48.89 74.99 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.349 -175.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.43 ' HH ' HG11 ' A' ' 595' ' ' VAL . 39.0 t80 -58.63 -39.34 80.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.2 -178.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -66.0 -40.88 91.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.139 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -97.61 -21.75 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.09 -57.49 11.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.88 -22.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.387 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 23.4 m -147.69 152.61 38.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -64.96 -41.97 94.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.604 0.24 . . . . 0.0 111.531 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.88 -46.29 90.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.14 -37.67 88.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.468 . . . . 0.0 110.117 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.49 ' HH ' ' CD ' ' A' ' 636' ' ' GLU . 1.1 t80 -55.45 -47.9 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.664 179.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' TYR . . . . . 0.888 ' OH ' ' HA ' ' C' ' 138' ' ' LEU . 89.4 t80 -64.29 -41.13 97.02 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . 0.424 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 45.0 m170 -57.3 -49.46 76.03 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.821 0.344 . . . . 0.0 111.221 -177.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.04 -48.28 79.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.027 -170.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.38 -41.44 89.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.647 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.93 88.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.719 0.295 . . . . 0.0 110.985 -178.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.432 ' OE2' HD22 ' C' ' 128' ' ' LEU . 9.9 mm-40 -64.21 -39.98 95.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.37 -50.32 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.8 pt -65.18 -37.54 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.452 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -65.2 -48.91 71.73 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.468 -176.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -55.83 -50.01 71.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' ILE . . . . . 0.57 HG21 ' CG2' ' B' ' 844' ' ' ILE . 10.5 mt -67.96 -49.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.18 -174.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -54.99 -46.44 75.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.267 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -64.41 -40.09 95.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.356 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' GLU . . . . . 0.696 ' OE2' HG21 ' B' ' 844' ' ' ILE . 35.6 tt0 -65.04 -42.03 94.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.931 0.396 . . . . 0.0 110.343 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.562 HD12 ' CB ' ' B' ' 843' ' ' ASN . 96.8 mt -62.13 -39.07 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.7 tp10 -60.11 -49.24 78.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.295 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -62.07 -39.42 92.34 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.17 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -58.78 -40.54 84.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.868 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' ARG . . . . . 0.446 ' O ' ' HD3' ' A' ' 668' ' ' ARG . 2.1 tmt_? -75.4 -31.87 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 67.9 mtp180 -66.06 -19.31 65.81 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 178.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 28.0 t -84.62 8.65 16.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -143.7 130.45 20.31 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.478 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.428 179.723 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 840' ' ' ASP . . . . . 0.429 ' HA ' ' HG ' ' B' ' 845' ' ' LEU . 1.6 m-20 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.055 0.455 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 841' ' ' ALA . . . . . 0.404 ' C ' ' HH ' ' A' ' 631' ' ' TYR . . . -137.47 95.18 3.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -175.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 842' ' ' GLY . . . . . 0.414 ' N ' ' HH ' ' A' ' 631' ' ' TYR . . . 72.99 -83.18 0.61 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.903 167.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 843' ' ' ASN . . . . . 0.562 ' CB ' HD12 ' A' ' 664' ' ' LEU . 0.7 OUTLIER -119.25 11.45 12.29 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 172.308 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 844' ' ' ILE . . . . . 0.696 HG21 ' OE2' ' A' ' 663' ' ' GLU . 14.5 pt -114.94 97.43 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 165.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 845' ' ' LEU . . . . . 0.538 ' HB3' ' HD2' ' B' ' 846' ' ' PRO . 3.8 mp -155.93 -172.26 0.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 846' ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 26.7 Cg_exo -67.53 -155.42 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 121.74 1.626 . . . . 0.0 111.634 156.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 7.4 t -67.58 -43.16 81.23 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -169.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.3 -55.31 32.89 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -156.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.96 -38.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.159 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -44.9 71.89 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.986 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -55.91 -39.99 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.182 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 852' ' ' PHE . . . . . 0.644 ' CZ ' ' HA ' ' A' ' 625' ' ' MET . 14.8 t80 -65.23 -52.85 51.96 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.181 -0.207 . . . . 0.0 111.475 -176.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 853' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 611' ' ' ILE . 9.5 p -67.3 -39.29 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.373 -177.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.79 -37.17 85.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.221 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.59 -30.89 70.97 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -93.15 129.2 39.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.059 0.457 . . . . 0.0 110.302 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 21.0 m -111.24 109.74 56.52 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.94 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo . . . . . 0 C--O 1.249 1.028 0 C-N-CA 122.841 2.361 . . . . 0.0 111.43 176.313 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.807 0.336 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.8 m -67.14 -32.78 74.13 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.954 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.26 -46.79 89.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.305 0.574 . . . . 0.0 109.727 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 71.6 p -80.14 43.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.883 177.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' C' ' 123' ' ' LYS . 28.9 t70 -58.71 -45.59 89.22 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.136 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' C' ' 122' ' ' GLN . 28.1 t -57.65 -48.89 78.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.082 177.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' C' ' 121' ' ' SER . 1.8 mp0 -62.0 -40.73 96.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 110.368 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . 0.447 ' O ' HG21 ' C' ' 127' ' ' ILE . 61.6 tttp -55.98 -47.03 78.44 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.895 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' ARG . . . . . 0.718 ' O ' HG12 ' C' ' 127' ' ' ILE . 75.9 ttt180 -55.47 -47.26 76.38 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.368 175.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' C' ' 125' ' ' ARG . 0.2 OUTLIER -57.71 -45.21 86.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.093 0.473 . . . . 0.0 110.153 -177.319 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.78 -39.41 74.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.594 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . 0.718 HG12 ' O ' ' C' ' 124' ' ' ARG . 5.5 pt -60.57 -40.17 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.811 -174.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.432 HD22 ' OE2' ' A' ' 655' ' ' GLU . 2.9 mm? -57.82 -41.55 82.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.175 0.512 . . . . 0.0 110.447 -177.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 47.1 m -56.86 -27.05 59.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.251 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.72 45.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.436 0.636 . . . . 0.0 109.616 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 131' ' ' ARG . . . . . 0.624 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.3 OUTLIER -105.51 101.61 32.91 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.82 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.54 -40.51 78.7 Favored 'Trans proline' 0 N--CA 1.473 0.302 0 C-N-CA 123.571 2.848 . . . . 0.0 114.057 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 134' ' ' TYR . . . . . 0.615 ' O ' ' HG ' ' C' ' 138' ' ' LEU . 66.4 t80 -61.91 -42.16 98.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 135' ' ' ARG . . . . . 0.485 ' HA ' HD12 ' C' ' 138' ' ' LEU . 29.1 tpt180 -60.33 -42.14 95.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.45 174.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.51 -47.25 73.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.82 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 43.3 pt -78.07 -29.49 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.985 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 138' ' ' LEU . . . . . 0.888 ' HA ' ' OH ' ' A' ' 650' ' ' TYR . 87.0 mt -54.74 -50.43 68.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.268 0.556 . . . . 0.0 110.289 173.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.77 -51.57 64.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.564 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.39 -50.65 58.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 141' ' ' LEU . . . . . 0.621 ' CD1' ' HD3' ' A' ' 606' ' ' LYS . 12.8 tp -65.68 -46.78 77.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.209 -167.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 76.7 p -75.87 -25.74 56.43 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.772 0.32 . . . . 0.0 111.258 -173.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 18.5 m -81.42 -7.76 59.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.127 0.489 . . . . 0.0 110.569 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 144' ' ' ASP . . . . . 0.467 ' O ' ' HD3' ' C' ' 146' ' ' PRO . 34.1 t70 -113.57 37.97 3.07 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.437 0.637 . . . . 0.0 109.868 176.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . 0.518 ' HB3' ' CD1' ' A' ' 599' ' ' LEU . . . -107.76 95.58 14.86 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.649 174.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 146' ' ' PRO . . . . . 0.527 ' HG2' ' CE1' ' A' ' 602' ' ' HIS . 28.3 Cg_exo -64.69 158.45 50.34 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 123.675 2.916 . . . . 0.0 112.732 175.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 179.61 77.1 0.06 OUTLIER Glycine 0 C--N 1.323 -0.168 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.345 -176.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 148' ' ' VAL . . . . . 0.43 ' HB ' ' HD3' ' C' ' 149' ' ' PRO . 5.1 t -150.18 -50.94 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.565 -0.255 . . . . 0.0 111.261 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 149' ' ' PRO . . . . . 0.43 ' HD3' ' HB ' ' C' ' 148' ' ' VAL . 10.1 Cg_exo . . . . . 0 C--O 1.252 1.191 0 C-N-CA 122.381 2.054 . . . . 0.0 112.755 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 64.0 t -104.65 118.87 52.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.8 p -95.37 160.85 14.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.798 0.332 . . . . 0.0 111.443 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.84 88.88 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.47 -48.6 74.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.974 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 60.2 tp -55.42 -47.78 75.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.468 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.0 mtp180 -64.38 -40.03 95.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.755 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.4 m -56.54 -40.75 75.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.417 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -64.53 -38.56 91.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.078 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 24.5 mt -65.09 -46.92 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.525 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -63.74 -43.55 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -58.89 -47.59 84.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.046 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.669 ' NZ ' HD21 ' C' ' 141' ' ' LEU . 12.9 pttp -64.37 -34.85 79.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 177.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.469 HD11 HD22 ' A' ' 653' ' ' LEU . 0.2 OUTLIER -58.22 -42.83 87.13 Favored 'General case' 0 N--CA 1.461 0.11 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.798 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.66 -47.65 87.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -55.26 -37.36 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.21 -38.64 74.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.732 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.429 ' O ' HG21 ' B' ' 853' ' ' VAL . 37.5 mt -91.18 -43.15 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.097 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.15 94.06 37.36 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.15 -41.49 21.9 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.582 2.188 . . . . 0.0 113.115 -175.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -147.41 94.93 4.4 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 121.554 0.693 . . . . 0.0 111.449 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.402 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 1.6 Cg_endo -84.72 142.54 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.997 2.464 . . . . 0.0 111.122 173.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.14 161.5 67.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 119.28 -0.391 . . . . 0.0 110.111 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 620' ' ' LEU . 71.3 Cg_exo -48.11 -34.77 24.45 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.646 2.23 . . . . 0.0 113.958 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.0 -26.95 36.08 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 -177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.6 mt -59.77 -38.41 81.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.61 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 13.36 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.038 0.447 . . . . 0.0 111.213 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -95.66 149.84 21.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.392 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -57.02 -37.83 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.492 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.63 ' HD2' ' CZ ' ' B' ' 852' ' ' PHE . 14.3 ptp180 -59.98 -38.34 82.29 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.561 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.6 tpt -65.52 -44.07 88.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.33 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.35 -40.76 95.46 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.75 -39.16 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.935 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.08 -46.55 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.197 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 625' ' ' MET . 3.9 t -61.82 -36.88 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.259 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.29 89.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.026 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.84 -46.58 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.934 174.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.29 95.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.053 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -64.55 -48.98 73.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -65.13 -46.68 79.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.619 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 639' ' ' MET . 70.9 t -59.33 -40.91 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.454 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.8 -39.98 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.886 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -48.66 71.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.59 -39.0 89.62 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.788 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.575 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -63.0 -50.43 70.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.944 -178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -63.63 -40.94 98.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.948 0.404 . . . . 0.0 110.469 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.808 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 12.4 m -94.51 -22.46 18.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -172.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.69 -63.27 1.19 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 643' ' ' ALA . 9.8 t30 75.24 -21.47 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.803 0.689 . . . . 0.0 111.495 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 1.7 m -144.53 150.54 37.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -65.18 -43.54 91.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 111.353 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.59 -45.14 89.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.48 -37.1 86.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.976 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.5 -50.64 71.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.684 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.7 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 76.1 t80 -66.33 -44.35 83.57 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -57.71 -42.99 84.89 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.228 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.95 -44.4 89.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 110.027 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.521 HD21 ' HG3' ' A' ' 639' ' ' MET . 77.8 mt -66.68 -40.79 88.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.861 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.35 93.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 111.13 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.524 ' OE1' HD21 ' C' ' 128' ' ' LEU . 31.0 tt0 -65.45 -39.92 92.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.212 0.529 . . . . 0.0 110.498 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -64.57 -42.63 95.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.894 -176.035 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.4 pt -64.6 -38.58 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.655 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 55.9 t80 -64.84 -40.21 94.81 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.392 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.351 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.635 HG12 HD11 ' B' ' 845' ' ' LEU . 88.9 mt -65.15 -46.22 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.438 0.637 . . . . 0.0 110.206 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -52.38 -43.48 64.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.405 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.655 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 28.8 mtpp -63.72 -42.28 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.556 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.645 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 53.4 mt -62.56 -41.54 98.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.317 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.17 -44.6 83.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.795 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.33 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.569 ' HB3' ' HG ' ' B' ' 854' ' ' LEU . 38.9 mmtm -64.43 -38.14 89.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.525 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -66.95 -23.32 65.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.906 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 N--CA 1.47 0.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.578 -179.281 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.635 HD11 HG12 ' A' ' 660' ' ' ILE . 3.3 mp -92.06 154.85 43.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.584 0.231 . . . . 0.0 110.787 -175.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.17 155.2 66.48 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.397 2.065 . . . . 0.0 110.912 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.1 m -54.81 -42.31 71.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.51 -40.94 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -172.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 849' ' ' ILE . . . . . 0.427 HG12 ' H ' ' B' ' 849' ' ' ILE . 3.6 mm -63.93 -45.36 97.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.438 ' SD ' HD13 ' B' ' 845' ' ' LEU . 13.6 mmt -65.84 -40.32 91.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.5 -47.84 75.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.737 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 852' ' ' PHE . . . . . 0.63 ' CZ ' ' HD2' ' A' ' 624' ' ' ARG . 6.2 t80 -65.74 -50.24 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.666 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 853' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 611' ' ' ILE . 4.9 p -62.09 -39.92 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.414 -168.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 854' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 667' ' ' LYS . 3.6 mm? -64.99 -36.0 82.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.341 175.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.78 -18.73 63.14 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.074 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.857 0.361 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -57.15 -41.12 78.55 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.732 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.675 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 3.1 pt -63.42 -40.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.736 -175.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.524 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.2 mm? -56.79 -38.9 73.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.013 0.435 . . . . 0.0 110.716 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 129' ' ' SER . . . . . 0.425 ' HA ' HH21 ' C' ' 135' ' ' ARG . 8.2 t -58.85 -17.31 22.66 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -133.96 45.56 2.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.761 0.791 . . . . 0.0 109.933 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 1.8 mmp_? -111.2 103.96 55.57 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.409 175.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.407 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 51.7 Cg_exo . . . . . 0 C--N 1.343 0.268 0 C-N-CA 123.46 2.774 . . . . 0.0 113.21 -175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.458 ' CG ' HD12 ' C' ' 128' ' ' LEU . 80.2 t80 . . . . . 0 C--O 1.223 -0.292 0 CA-C-O 120.667 0.27 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.425 HH21 ' HA ' ' C' ' 129' ' ' SER . 17.6 mmt85 -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.112 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 136' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 33.7 mtmm -59.87 -55.0 39.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.245 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 33.8 pt -67.9 -33.59 62.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.075 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.516 HD12 ' HE2' ' A' ' 650' ' ' TYR . 9.1 tp -62.39 -50.13 72.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.67 0.272 . . . . 0.0 110.394 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -66.74 -50.67 62.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.816 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.64 -51.23 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.7 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 48.0 tp -64.96 -42.11 94.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.898 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 81.1 p -76.06 -9.55 58.71 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 122.307 -0.246 . . . . 0.0 111.492 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -176.681 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 45.0 t60 . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.6 133.79 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 51.0 p -100.23 169.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 111.458 -173.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.49 94.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.13 -50.29 74.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 41.9 tp -57.38 -44.74 84.7 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 604' ' ' VAL . 0.1 OUTLIER -57.16 -44.74 83.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.228 178.269 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 29.0 m -61.65 -41.97 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.279 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -64.9 -38.83 92.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.152 0.501 . . . . 0.0 110.314 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.459 HD13 HD11 ' A' ' 653' ' ' LEU . 24.6 mt -66.19 -43.14 87.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.556 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 600' ' ' ARG . 4.6 t -55.67 -39.84 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.875 0.369 . . . . 0.0 110.563 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -56.98 -39.22 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -62.37 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.61 82.03 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.54 -47.55 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.463 173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -54.71 -39.89 68.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.21 0.529 . . . . 0.0 110.688 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.25 83.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.09 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 660' ' ' ILE . 43.5 mt -94.42 -41.57 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 -174.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.95 85.81 45.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.7 -38.26 41.31 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.732 2.288 . . . . 0.0 113.094 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.3 t -143.26 87.25 8.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.908 0.385 . . . . 0.0 111.592 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.06 145.77 19.7 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.395 2.064 . . . . 0.0 111.665 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -69.5 156.15 92.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.746 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.466 ' HA ' HD12 ' A' ' 620' ' ' LEU . 9.2 Cg_endo -50.59 -44.46 40.07 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.233 . . . . 0.0 111.914 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.64 -21.43 55.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.075 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.87 -38.67 64.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 110.674 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.5 mt -59.49 -33.52 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 -177.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -96.31 14.3 24.72 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.84 0.352 . . . . 0.0 111.297 -177.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 10.3 t70 -96.34 143.17 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.515 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 31.4 mmt180 -56.69 -36.19 69.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.568 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' B' ' 852' ' ' PHE . 23.8 mmm180 -60.81 -46.04 92.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 110.505 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 16.4 tpt -65.95 -41.69 90.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.984 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.515 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 52.3 mt-10 -59.58 -40.57 87.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.122 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -59.0 -38.82 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.73 -45.99 90.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.31 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.4 -38.77 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.862 0.363 . . . . 0.0 110.229 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.79 92.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.456 0.646 . . . . 0.0 110.0 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.797 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.188 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -59.47 -50.1 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.525 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 634' ' ' LYS . 0.6 OUTLIER -66.03 -42.07 90.09 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.32 -177.546 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.62 -44.91 97.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 111.147 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -62.1 -40.19 95.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.009 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.68 93.67 Favored Glycine 0 CA--C 1.507 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.437 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.7 -40.03 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.153 0.501 . . . . 0.0 110.194 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.481 ' SD ' HD23 ' A' ' 653' ' ' LEU . 34.8 mtt -66.27 -49.74 66.11 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.248 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -60.71 -40.86 93.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.162 -172.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.81 -39.36 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.663 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.4 m -94.12 -23.53 17.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.662 -174.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -57.59 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.86 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.2 t30 57.12 16.94 3.2 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 14.8 m -154.33 149.5 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -64.99 -49.18 71.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.917 0.389 . . . . 0.0 111.004 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.24 -43.07 92.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.32 -39.15 89.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.263 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.04 -47.99 83.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.874 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.54 ' HE2' ' CD1' ' C' ' 138' ' ' LEU . 94.8 t80 -64.44 -40.57 95.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -64.41 -39.64 94.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.36 -38.28 90.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.629 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 657' ' ' ILE . 35.0 mt -55.36 -43.82 75.41 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.312 174.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.427 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -64.1 -39.41 93.99 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.138 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.536 ' OE1' HD21 ' C' ' 128' ' ' LEU . 14.6 tp10 -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.463 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.76 -46.47 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.421 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.4 pt -63.54 -37.64 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.888 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -62.09 -42.2 98.97 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.655 0.264 . . . . 0.0 110.445 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.453 ' HD2' HG12 ' B' ' 844' ' ' ILE . 19.8 ttmm -55.95 -50.6 70.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.966 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.517 ' CG1' HD11 ' B' ' 844' ' ' ILE . 35.5 mt -67.31 -51.76 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.883 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.15 -45.11 79.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.524 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' A' ' 662' ' ' LYS . 0.0 OUTLIER -62.79 -44.71 95.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.533 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.13 -39.87 93.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.21 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.41 ' CD2' ' HG3' ' B' ' 850' ' ' MET . 78.2 mt -61.58 -40.25 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.714 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -64.23 -49.22 72.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.468 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -38.91 92.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.67 -44.69 96.18 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.401 0.28 . . . . 0.0 111.201 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -76.98 -27.28 54.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.175 0.512 . . . . 0.0 110.094 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.414 176.83 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 844' ' ' ILE . . . . . 0.517 HD11 ' CG1' ' A' ' 660' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.575 ' HB2' ' SD ' ' B' ' 850' ' ' MET . 1.1 mp -75.58 137.54 70.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.343 -165.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.56 -178.17 4.09 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.97 2.446 . . . . 0.0 112.735 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.9 m -55.5 -40.67 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.55 -49.52 67.48 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.19 -44.2 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.111 0.482 . . . . 0.0 110.912 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.575 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -62.27 -41.98 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.922 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -58.93 -37.85 77.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.918 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 852' ' ' PHE . . . . . 0.542 ' HB2' HH21 ' A' ' 624' ' ' ARG . 47.7 t80 -61.7 -50.59 71.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.188 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.72 -39.02 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.42 -37.27 85.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -58.18 -43.79 87.68 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.367 -172.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.17 0.509 . . . . 0.0 110.101 177.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.14 -39.67 72.64 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.171 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.494 HG12 HD22 ' C' ' 128' ' ' LEU . 4.0 pt -63.22 -41.7 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.419 -173.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.536 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.9 mm? -59.18 -41.13 87.73 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 88.0 p -56.57 -35.08 67.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.746 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -144.75 68.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.388 0.613 . . . . 0.0 109.9 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.555 ' CZ ' ' HB2' ' C' ' 134' ' ' TYR . 4.8 ttp180 -113.6 120.47 39.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo . . . . . 0 CA--C 1.53 0.281 0 C-N-CA 123.114 2.542 . . . . 0.0 113.173 179.796 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' C' ' 131' ' ' ARG . 82.3 t80 . . . . . 0 C--O 1.22 -0.468 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.435 ' NH2' HD23 ' C' ' 138' ' ' LEU . 6.2 tpm_? -56.41 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.02 -56.03 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.916 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.2 pt -66.35 -33.89 66.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.133 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.54 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 10.4 tp -60.55 -41.0 93.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.863 0.84 . . . . 0.0 110.432 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.3 -52.82 56.64 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.117 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.67 -49.52 62.37 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.54 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 21.4 tp -60.81 -36.39 78.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.397 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 25.6 p -72.28 -0.02 11.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.235 0.321 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.586 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.2 t60 . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.752 0.311 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 599' ' ' LEU . 84.9 t -116.24 111.93 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.516 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 32.1 p -96.26 166.46 11.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.959 -172.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -57.3 -40.02 76.97 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.35 -46.85 88.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 595' ' ' VAL . 28.6 tp -57.73 -43.61 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 596' ' ' THR . 45.8 mtt180 -65.48 -49.11 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.338 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 27.7 m -57.51 -38.69 75.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.144 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -61.84 -43.54 98.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.189 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.485 HD23 ' HD3' ' A' ' 606' ' ' LYS . 16.8 mt -65.78 -40.54 92.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.991 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.5 -41.72 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 176.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -62.66 -40.88 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.095 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.485 ' HD3' HD23 ' A' ' 603' ' ' LEU . 28.1 mtpp -63.84 -38.68 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.996 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -42.76 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.67 -49.23 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.225 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -56.92 -36.89 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.128 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.26 -39.02 74.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.885 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 21.9 mt -92.44 -38.36 10.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.92 86.58 42.83 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.21 -37.74 89.84 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.79 2.327 . . . . 0.0 113.872 -171.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.6 t -161.81 94.32 1.32 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 121.293 0.568 . . . . 0.0 111.852 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -84.14 164.67 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.892 2.394 . . . . 0.0 112.31 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.2 155.15 54.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.429 ' HA ' HD12 ' A' ' 620' ' ' LEU . 5.3 Cg_endo -47.39 -43.81 26.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.21 2.607 . . . . 0.0 113.491 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.17 -30.97 71.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.475 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.03 64.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 617' ' ' PRO . 1.9 mt -61.77 -31.5 71.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.653 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -91.66 6.11 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.928 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.67 151.56 19.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 111.364 -172.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -39.63 94.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.611 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -64.18 -42.54 96.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.042 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -66.08 -39.77 90.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.186 0.517 . . . . 0.0 110.177 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.68 -40.51 72.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.665 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -60.08 -36.34 77.16 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.715 0.293 . . . . 0.0 110.767 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.09 -43.23 99.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.72 -37.38 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.139 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.307 0.575 . . . . 0.0 109.601 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -61.35 -43.48 98.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.144 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.06 0.457 . . . . 0.0 110.329 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.57 -46.84 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.181 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -64.04 -44.48 92.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.811 0.339 . . . . 0.0 110.989 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 639' ' ' MET . 69.0 t -59.16 -41.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.81 -39.02 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.12 92.67 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.877 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.73 -38.3 88.79 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.965 0.412 . . . . 0.0 110.89 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.6 ' HG3' HD21 ' A' ' 653' ' ' LEU . 22.9 mmt -64.34 -51.68 62.16 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.039 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.61 -38.46 87.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.846 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.73 -39.36 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.958 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.3 p -95.38 -27.96 15.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.96 -67.85 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 644' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 643' ' ' ALA . 9.3 t30 71.92 -9.25 1.0 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.038 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 26.6 m -153.45 154.33 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.632 -0.667 . . . . 0.0 109.643 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.5 -45.84 88.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.623 0.249 . . . . 0.0 110.948 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -64.14 -40.23 95.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.058 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -64.3 -40.31 95.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.435 . . . . 0.0 110.798 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.333 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.673 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 56.4 t80 -64.9 -40.94 95.87 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.048 0.452 . . . . 0.0 110.557 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 651' ' ' HIS . . . . . 0.411 ' O ' ' HG3' ' A' ' 655' ' ' GLU . 79.8 t60 -62.0 -42.85 99.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.761 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.31 -46.13 84.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 110.735 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.6 HD21 ' HG3' ' A' ' 639' ' ' MET . 75.6 mt -66.05 -39.68 90.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.578 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.94 74.03 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.923 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 651' ' ' HIS . 38.5 mt-10 -65.69 -42.5 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.932 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.409 ' HE2' HG11 ' A' ' 635' ' ' VAL . 59.9 tttp -66.36 -46.83 75.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.5 pt -63.75 -37.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.637 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -63.85 -40.82 97.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.536 ' HD3' HG12 ' B' ' 844' ' ' ILE . 20.9 ttmm -56.09 -50.97 69.54 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.113 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 44.2 mt -65.72 -49.58 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.292 0.567 . . . . 0.0 110.401 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -53.93 -48.95 69.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.054 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -64.53 -43.96 92.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.97 -48.2 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.952 -177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.67 -40.58 92.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.8 -48.69 68.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.727 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -38.52 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.885 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.89 -40.03 72.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -76.78 -33.07 58.07 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.453 -176.294 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 844' ' ' ILE . . . . . 0.536 HG12 ' HD3' ' A' ' 659' ' ' LYS . 1.1 mt . . . . . 0 C--O 1.233 0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.66 148.45 35.43 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.494 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.48 159.02 29.16 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.817 2.344 . . . . 0.0 112.239 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.8 t -55.25 -47.11 75.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.208 0.317 . . . . 0.0 111.056 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.82 -45.6 74.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.905 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.34 -46.03 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.379 0.609 . . . . 0.0 109.914 -178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.441 ' O ' HD23 ' B' ' 854' ' ' LEU . 6.3 mmt -65.82 -40.09 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.312 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.56 -38.01 83.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.2 -49.49 75.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.406 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 853' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 850' ' ' MET . 11.4 p -65.17 -39.0 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.834 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 854' ' ' LEU . . . . . 0.441 HD23 ' O ' ' B' ' 850' ' ' MET . 3.3 mm? -55.83 -37.16 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.681 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 855' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' B' ' 855' ' ' LYS . 6.0 mmtp -98.44 19.31 14.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.099 0.475 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -55.13 -38.65 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.816 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 4.5 pt -57.14 -38.79 62.88 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 121.201 -0.2 . . . . 0.0 110.737 -175.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.48 HD22 HG12 ' C' ' 127' ' ' ILE . 2.3 mm? -62.2 -41.27 98.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 -177.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 50.6 m -57.81 -23.89 54.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.819 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.08 55.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.239 0.543 . . . . 0.0 109.913 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' C' ' 134' ' ' TYR . 7.2 tpt180 -113.6 113.15 48.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.639 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 35.3 Cg_exo . . . . . 0 C--N 1.348 0.535 0 C-N-CA 123.583 2.856 . . . . 0.0 114.04 -174.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 19.4 t80 . . . . . 0 C--O 1.225 -0.206 0 CA-C-O 120.521 0.2 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -63.62 -41.78 98.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.756 0.312 . . . . 0.0 110.736 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.76 -44.05 81.37 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.298 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 37.4 pt -76.72 -36.37 26.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.588 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.568 HD12 ' HE2' ' A' ' 650' ' ' TYR . 12.0 tp -56.06 -48.62 75.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.605 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -65.18 -50.75 64.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.26 -44.74 82.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.401 0.619 . . . . 0.0 112.289 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.673 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 18.1 tp -62.25 -39.24 92.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.554 -172.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 4.9 p -71.55 -1.02 12.0 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 CA--C 1.537 0.481 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -171.454 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 34.6 t60 . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.443 0.164 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.7 t -94.0 122.18 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 38.0 p -105.56 170.4 7.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.46 -40.51 78.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 0.0 110.27 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.82 -50.02 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.99 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.633 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 604' ' ' VAL . 58.2 ttt180 -64.47 -50.2 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 57.3 m -59.12 -38.38 79.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.342 . . . . 0.0 111.245 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.09 -46.33 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.583 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.9 t -62.14 -40.67 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-O 121.153 0.501 . . . . 0.0 110.139 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -58.62 -40.6 83.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.422 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -60.82 -37.87 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.174 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 656' ' ' LYS . 0.4 OUTLIER -57.65 -46.13 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.271 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.43 -41.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -54.01 -37.81 64.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.246 0.546 . . . . 0.0 110.633 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.35 69.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.406 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.52 ' O ' HG21 ' B' ' 853' ' ' VAL . 49.4 mt -98.56 -44.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.979 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.85 88.0 47.4 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.79 -33.53 64.79 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 122.891 2.394 . . . . 0.0 113.512 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.7 t -156.82 95.32 2.22 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.337 0.589 . . . . 0.0 111.483 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.95 155.92 20.2 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.075 2.517 . . . . 0.0 111.742 174.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.529 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.5 p-10 -92.54 163.25 27.06 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 1.0 OUTLIER -43.15 -41.47 9.6 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.368 2.712 . . . . 0.0 114.001 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.13 65.31 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.859 -0.526 . . . . 0.0 111.719 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.58 -42.91 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 110.472 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.7 mt -57.24 -39.98 76.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.825 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 617' ' ' PRO . 13.7 pttm -94.01 15.51 16.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.914 0.388 . . . . 0.0 111.489 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.67 143.63 27.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.923 0.392 . . . . 0.0 110.263 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.83 -37.41 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.621 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -61.07 -39.87 91.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.407 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.2 tpt -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.936 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -59.5 -40.93 88.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -62.98 -38.61 91.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.969 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.89 -49.64 75.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 625' ' ' MET . 2.9 t -60.09 -36.96 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -64.24 -40.56 96.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.645 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.84 94.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 0.0 109.829 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 636' ' ' GLU . 12.6 tmtt? -62.27 -49.58 75.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.261 -177.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -64.19 -39.55 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.165 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.0 t -58.35 -40.32 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-O 120.772 0.32 . . . . 0.0 110.464 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 9.3 tt0 -54.5 -43.3 71.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.92 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.28 -49.73 55.33 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.783 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -38.95 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.05 0.452 . . . . 0.0 110.565 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 24.2 ttp -64.09 -47.42 80.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.761 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.29 -40.6 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.053 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -68.22 -46.02 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.111 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.3 m -83.88 -30.21 26.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -169.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.15 -71.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.4 t30 54.62 19.46 2.46 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 36.9 m -159.78 158.34 30.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -66.2 -51.26 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.949 0.404 . . . . 0.0 111.302 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.051 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.28 -38.41 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.038 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.11 -50.69 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.44 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.824 ' HE2' HD12 ' C' ' 138' ' ' LEU . 52.5 t80 -67.94 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.096 0.474 . . . . 0.0 110.724 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -56.01 -41.86 75.56 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.484 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.45 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.124 -176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.477 ' O ' HG12 ' A' ' 657' ' ' ILE . 72.9 mt -63.92 -41.66 97.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.42 80.9 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.129 0.49 . . . . 0.0 110.484 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 31.8 tt0 -62.32 -49.78 74.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.66 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 660' ' ' ILE . 2.7 tpmt? -65.7 -47.73 74.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.625 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 653' ' ' LEU . 44.1 pt -64.32 -37.57 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.844 -175.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.18 -49.19 70.76 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.463 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 0.3 OUTLIER -64.29 -36.92 85.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.586 HG12 HD11 ' B' ' 844' ' ' ILE . 67.7 mt -62.41 -51.52 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.476 0.655 . . . . 0.0 109.308 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.582 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 47.9 tt0 -57.01 -45.67 82.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.86 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -61.64 -41.01 96.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.643 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -62.79 -43.72 98.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.003 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.29 -40.38 81.78 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.005 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 49.3 mt-10 -63.83 -50.32 69.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.875 0.369 . . . . 0.0 110.635 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -40.03 94.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.03 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -63.06 -40.59 98.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 110.649 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -72.57 -36.43 68.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.493 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.128 -174.144 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 844' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 660' ' ' ILE . 5.1 tp . . . . . 0 N--CA 1.447 -0.614 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.12 134.84 73.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 0.0 111.051 -163.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.93 -174.85 2.41 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.956 2.437 . . . . 0.0 112.897 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.1 m -56.39 -39.95 73.82 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -53.1 -51.74 60.89 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.96 -46.8 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 111.342 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.42 ' O ' HD23 ' B' ' 854' ' ' LEU . 29.5 mmt -64.18 -41.3 97.16 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -174.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.04 -38.04 89.61 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.15 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.1 -49.68 76.1 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.067 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 853' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 611' ' ' ILE . 8.0 p -65.61 -38.52 82.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.245 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 854' ' ' LEU . . . . . 0.42 HD23 ' O ' ' B' ' 850' ' ' MET . 3.4 mm? -62.12 -37.83 86.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.745 0.307 . . . . 0.0 110.68 175.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -70.71 -38.1 73.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.136 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -178.245 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 . . . . . 0 C--O 1.236 0.36 0 CA-C-O 121.229 0.538 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -55.82 -44.58 78.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.75 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -62.95 -40.63 89.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.504 -175.673 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' C' ' 134' ' ' TYR . 2.0 mm? -65.21 -44.71 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.12 0.486 . . . . 0.0 110.053 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.8 m -58.05 -36.09 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.253 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -116.39 48.16 1.31 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.606 0.717 . . . . 0.0 109.878 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.584 ' HB3' ' CB ' ' C' ' 134' ' ' TYR . 8.3 tpt180 -113.95 106.01 53.84 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.659 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 18.1 Cg_endo . . . . . 0 CA--C 1.529 0.234 0 C-N-CA 122.297 1.998 . . . . 0.0 112.166 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.584 ' CB ' ' HB3' ' C' ' 131' ' ' ARG . 57.8 t80 . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -58.11 -42.13 85.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.224 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 136' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 63.3 mttp -63.48 -55.88 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.198 0.523 . . . . 0.0 111.078 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.1 pt -70.43 -21.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.593 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.824 HD12 ' HE2' ' A' ' 650' ' ' TYR . 15.0 tp -62.15 -41.91 98.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 177.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -66.97 -48.91 67.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.187 169.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.5 -49.81 69.85 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.507 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 28.6 tp -60.54 -41.33 94.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -171.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 650' ' ' TYR . 2.6 p -70.89 -35.24 72.23 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.881 -172.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 CA--C 1.536 0.421 0 O-C-N 123.55 0.531 . . . . 0.0 111.936 -174.841 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 33.8 m170 . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.8 t -97.21 120.54 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.709 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.0 p -101.2 172.17 7.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -60.19 -38.41 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.14 -48.57 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.369 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.28 -40.65 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 604' ' ' VAL . 70.8 mtp180 -63.96 -49.2 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.512 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 16.2 m -55.64 -41.57 73.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.649 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -65.35 -40.36 93.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.889 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.13 -49.89 68.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.3 t -65.16 -43.68 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.867 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -60.0 -48.7 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.284 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -63.1 -35.26 79.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.01 -44.5 82.86 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.97 -48.17 87.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.272 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -55.19 -35.92 65.36 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.955 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -54.69 -38.02 66.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.548 HD11 HD13 ' B' ' 845' ' ' LEU . 40.9 mt -94.34 -39.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.543 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -117.83 89.77 34.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.94 -39.69 58.98 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.541 2.161 . . . . 0.0 112.552 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -150.62 80.25 6.93 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.94 145.55 50.65 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.229 1.952 . . . . 0.0 111.346 177.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.425 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.3 p30 -83.19 155.35 66.94 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 620' ' ' LEU . 5.0 Cg_endo -46.2 -43.82 20.51 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.235 2.623 . . . . 0.0 113.309 -176.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 618' ' ' ALA . . . . . 0.591 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.64 -17.39 51.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 111.66 -175.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.89 -36.65 67.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.575 0.702 . . . . 0.0 110.116 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.4 mt -67.36 -19.73 65.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.864 -176.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 2.6 pptp? -97.51 7.58 46.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -97.11 144.94 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -64.55 -38.99 92.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.339 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 624' ' ' ARG . 0.4 OUTLIER -56.52 -49.96 73.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.099 0.476 . . . . 0.0 110.344 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.48 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.2 tmt? -66.87 -40.76 87.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.23 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -39.37 70.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.757 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -55.68 -37.98 69.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 625' ' ' MET . 24.5 tp -59.71 -43.18 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.67 0.272 . . . . 0.0 110.385 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.14 -38.23 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.27 -42.91 92.75 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.141 0.496 . . . . 0.0 109.893 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -64.56 -40.78 96.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.903 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.54 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 5.5 tmmm? -65.14 -41.21 94.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.355 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 2.8 mmmp? -63.86 -44.06 94.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.394 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.442 HG13 ' HE2' ' A' ' 656' ' ' LYS . 34.2 t -55.78 -46.9 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 174.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.464 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 17.9 tt0 -55.88 -41.28 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.43 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.47 57.87 Favored Glycine 0 C--N 1.328 0.121 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.906 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.0 -37.9 89.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.675 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.455 ' HE2' ' HB3' ' A' ' 639' ' ' MET . 39.3 ttp -62.37 -46.58 88.02 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.978 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.504 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 6.6 m-85 -56.39 -35.4 67.69 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.64 -43.6 84.22 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.308 0.575 . . . . 0.0 110.877 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -90.2 -51.13 5.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.3 -171.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -51.08 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.094 0.557 . . . . 0.0 111.942 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 69.09 -17.55 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.3 m -133.75 158.31 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.931 -0.48 . . . . 0.0 110.001 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -66.21 -49.28 67.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.15 -45.33 88.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.184 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.33 -35.78 65.54 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.683 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -54.48 -52.16 62.77 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.462 0.574 . . . . 0.0 110.047 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.835 ' HE1' HD12 ' C' ' 138' ' ' LEU . 55.7 t80 -66.02 -44.32 85.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -58.14 -47.01 84.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.213 -175.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.77 -38.96 90.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.023 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.98 -44.57 88.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.047 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.413 ' HB1' ' CE1' ' C' ' 134' ' ' TYR . . . -64.11 -40.82 97.03 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.181 0.515 . . . . 0.0 110.561 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.508 ' OE1' HD21 ' C' ' 128' ' ' LEU . 10.8 tp10 -62.61 -46.51 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.097 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.442 ' HE2' HG13 ' A' ' 635' ' ' VAL . 2.9 ttmp? -65.67 -50.42 65.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.596 -175.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.6 pt -63.02 -37.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.76 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -65.21 -47.23 77.61 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.123 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -64.23 -40.58 96.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 111.352 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.969 HD13 HD12 ' B' ' 845' ' ' LEU . 18.6 mt -69.4 -48.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.292 0.568 . . . . 0.0 110.279 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -55.96 -40.62 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 662' ' ' LYS . 9.2 tmtt? -58.55 -40.59 83.45 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.79 -40.85 96.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.467 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.95 -41.77 98.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.038 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.67 -45.18 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.209 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -39.63 88.12 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -64.56 -40.75 96.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.261 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -77.4 -48.34 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.354 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.901 -171.862 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 21.4 mt . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.969 HD12 HD13 ' A' ' 660' ' ' ILE . 2.4 mt -78.33 138.76 59.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 111.098 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -78.46 173.22 14.07 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.87 2.38 . . . . 0.0 113.144 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 8.6 p -55.32 -43.27 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.11 -48.91 70.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.45 -39.65 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.082 0.467 . . . . 0.0 110.214 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 26.0 mmt -64.34 -43.45 94.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.99 -40.04 83.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.41 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.28 -49.96 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.239 0.337 . . . . 0.0 111.688 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 853' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 611' ' ' ILE . 12.3 p -65.42 -39.55 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.591 -177.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.84 -38.6 91.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 110.843 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -77.22 -41.14 42.44 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.67 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 51.6 t30 . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.511 . . . . 0.0 110.937 -174.054 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 . . . . . 0 CA--C 1.531 0.229 0 CA-C-O 121.205 0.526 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.99 -39.79 75.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.908 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.642 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 7.6 pt -57.13 -39.12 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 117.6 0.182 . . . . 0.0 111.249 -170.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.508 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.8 mm? -55.29 -39.32 69.74 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.467 0.48 . . . . 0.0 110.702 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -56.0 -33.69 65.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.265 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -138.77 60.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.489 0.661 . . . . 0.0 109.558 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.642 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.7 103.72 55.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.481 -176.419 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo . . . . . 0 C--N 1.345 0.393 0 C-N-CA 123.866 3.044 . . . . 0.0 114.379 -172.719 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.588 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 75.8 t80 . . . . . 0 C--O 1.225 -0.199 0 CA-C-O 120.793 0.33 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' C' ' 135' ' ' ARG . 39.5 ttp180 -60.85 -44.48 96.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.584 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -56.24 -53.76 53.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.432 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.73 -32.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.835 HD12 ' HE1' ' A' ' 650' ' ' TYR . 8.6 tp -57.95 -46.03 85.71 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 110.689 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.39 -51.65 62.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.803 0.335 . . . . 0.0 111.878 176.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.71 -49.54 65.72 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.607 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 20.0 tp -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.265 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 75.1 p -77.16 -2.58 35.1 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.43 -174.485 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.428 HG13 HD23 ' A' ' 599' ' ' LEU . 24.8 t -80.07 134.89 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.7 p -99.26 163.05 12.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.703 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.55 -39.37 76.52 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.1 -46.04 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 595' ' ' VAL . 46.9 tp -56.24 -43.55 78.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.43 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 604' ' ' VAL . 10.1 mtm180 -63.11 -46.22 88.33 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.6 t -55.53 -39.37 70.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.903 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -62.56 -44.53 96.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 0.0 109.986 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.447 HD13 HD12 ' A' ' 653' ' ' LEU . 20.4 mt -66.95 -40.72 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.627 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-O 121.165 0.507 . . . . 0.0 109.896 176.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -59.74 -42.0 92.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.655 ' HD3' HD11 ' C' ' 141' ' ' LEU . 98.3 mttt -59.64 -38.21 80.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.086 175.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -43.09 99.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 109.927 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.33 -47.93 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.986 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -54.51 -36.02 63.77 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.881 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.16 68.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.057 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.507 HD11 HD13 ' B' ' 845' ' ' LEU . 37.6 mt -94.39 -41.62 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.437 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.09 94.36 48.58 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.33 -40.82 13.74 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.421 2.081 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -149.5 98.66 3.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.421 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 2.5 Cg_endo -81.99 139.89 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.768 2.312 . . . . 0.0 111.948 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.485 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.1 p-10 -81.91 158.68 67.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.964 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.1 Cg_endo -45.65 -41.54 19.04 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.431 2.754 . . . . 0.0 113.866 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 618' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 621' ' ' LYS . . . -78.74 -23.7 45.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 -175.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.15 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.572 0.701 . . . . 0.0 110.237 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 615' ' ' PRO . 3.9 mt -67.23 -26.51 66.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.993 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 618' ' ' ALA . 19.9 pttp -93.84 5.83 50.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.476 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 10.5 t0 -94.88 145.88 24.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.92 -38.19 84.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.198 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.476 ' HG2' ' CG ' ' A' ' 622' ' ' ASP . 12.8 ptt180 -55.58 -40.44 72.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.281 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 629' ' ' VAL . 15.7 tpt -65.95 -41.91 90.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.611 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.24 -41.38 88.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.985 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -56.98 -40.87 77.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.468 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.81 -46.56 84.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.642 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 625' ' ' MET . 2.5 t -64.18 -38.38 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 120.847 0.356 . . . . 0.0 110.236 177.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.15 96.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.908 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.61 97.6 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.039 0.447 . . . . 0.0 109.899 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.55 -44.91 89.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.757 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -60.99 -48.84 79.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.48 ' O ' ' HG2' ' A' ' 639' ' ' MET . 75.9 t -57.81 -39.76 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.504 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -54.46 -40.7 68.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.897 0.379 . . . . 0.0 110.031 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -42.78 96.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.5 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.72 -40.25 95.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.433 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.0 mmt -66.11 -47.53 73.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.538 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.78 -43.33 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.253 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.65 -47.86 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.65 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 22.4 t -88.06 -30.23 20.07 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -168.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.25 3.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.228 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.0 9.37 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.703 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 4.4 m -144.61 149.58 35.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -65.3 -49.97 67.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.885 0.374 . . . . 0.0 110.355 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.24 -42.69 93.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.09 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.669 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.02 -43.99 91.64 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.672 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.852 ' CE1' HD12 ' C' ' 138' ' ' LEU . 58.1 t80 -65.07 -41.48 95.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.365 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -59.61 -49.31 78.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.849 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.43 -43.29 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' A' ' 639' ' ' MET . 85.8 mt -66.57 -41.88 87.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.388 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.72 93.45 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.057 0.456 . . . . 0.0 110.211 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.753 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 33.8 tt0 -64.34 -43.64 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.877 177.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -65.59 -50.7 64.13 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.467 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.6 pt -64.87 -37.97 81.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.563 -176.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.555 ' O ' ' HG2' ' A' ' 662' ' ' LYS . 54.2 t80 -64.31 -50.63 67.09 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.656 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -56.18 -49.19 74.72 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.397 0.436 . . . . 0.0 111.607 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.73 HG21 HD12 ' B' ' 845' ' ' LEU . 29.4 mt -68.3 -46.48 80.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 -173.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 6.3 tp-100 -55.68 -43.7 76.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.029 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 658' ' ' TYR . 32.5 mmmt -61.94 -38.93 90.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.617 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.22 -42.97 99.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.188 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.66 -39.47 88.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.476 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 669' ' ' ARG . 81.7 mt-10 -61.65 -50.97 70.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.276 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -39.27 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -58.31 -45.48 87.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -73.67 -29.51 62.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.389 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 665' ' ' GLU . 69.4 mtt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.567 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 844' ' ' ILE . . . . . 0.498 HG23 HG12 ' A' ' 660' ' ' ILE . 4.4 mt . . . . . 0 N--CA 1.462 0.172 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.73 HD12 HG21 ' A' ' 660' ' ' ILE . 4.1 mt -77.37 131.37 72.02 Favored Pre-proline 0 N--CA 1.453 -0.284 0 CA-C-O 120.734 0.302 . . . . 0.0 110.417 177.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.84 162.67 38.86 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.686 2.257 . . . . 0.0 112.963 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -54.57 -39.99 68.31 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 848' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -54.96 -44.19 74.13 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.26 -40.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.108 0.48 . . . . 0.0 110.173 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -40.04 79.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.505 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 851' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 8.8 m-20 -53.7 -38.37 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.846 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -60.17 -52.35 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.291 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.88 -38.89 76.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.732 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.607 0.241 . . . . 0.0 110.492 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -74.33 -46.87 38.07 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.343 0.592 . . . . 0.0 111.389 178.8 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.633 0.254 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.09 -40.21 80.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.2 pt -62.73 -39.98 86.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' C' ' 128' ' ' LEU . 0.6 OUTLIER -66.49 -41.0 89.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.7 t -57.0 -25.97 59.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.789 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -153.45 77.99 1.14 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.019 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 19.9 tpt180 -112.17 122.27 37.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.761 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 49.5 Cg_exo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 123.488 2.792 . . . . 0.0 113.354 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.753 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 21.9 m-85 . . . . . 0 C--O 1.211 -0.936 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -55.76 -40.11 72.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -64.39 -61.1 2.43 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.045 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 45.1 pt -76.03 -37.32 33.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.852 HD12 ' CE1' ' A' ' 650' ' ' TYR . 4.1 tp -53.3 -47.9 68.84 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.85 0.296 . . . . 0.0 110.504 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.0 -53.8 27.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.86 -51.09 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.742 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 57.5 tp -57.62 -39.11 76.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.388 -176.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 94.0 p -84.74 -6.63 59.36 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 122.059 -0.4 . . . . 0.0 111.864 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -170.754 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.848 0.356 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.3 t -120.59 99.58 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.9 p -102.56 168.69 9.12 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.839 -166.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -56.69 -39.31 73.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.784 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.94 -50.34 73.81 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.02 -49.53 76.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 604' ' ' VAL . 77.4 mtp180 -59.32 -38.85 81.33 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.997 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.7 m -54.56 -38.65 66.91 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.046 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -64.51 -42.91 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.25 0.547 . . . . 0.0 109.804 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.741 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 29.4 mt -66.94 -45.11 78.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.697 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.74 -40.71 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -59.83 -43.69 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.741 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 0.0 OUTLIER -59.76 -35.74 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -49.61 74.53 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.06 -49.13 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.651 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -55.42 -37.54 67.79 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.495 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.09 72.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.433 ' CD1' HD13 ' B' ' 845' ' ' LEU . 44.5 mt -95.52 -38.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.794 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.27 87.36 23.86 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -59.33 -41.28 60.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.619 2.213 . . . . 0.0 112.453 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.6 t -147.43 90.5 5.24 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.01 135.29 40.22 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.527 2.152 . . . . 0.0 111.729 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.42 164.82 31.17 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.15 -38.62 71.41 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.187 1.925 . . . . 0.0 113.18 -175.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -76.87 -21.25 55.25 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.201 -0.312 . . . . 0.0 111.561 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.98 60.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 109.945 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.45 -16.3 64.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.109 -175.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.439 ' HD2' ' C ' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -99.61 1.3 43.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 624' ' ' ARG . 10.2 t70 -95.25 139.64 31.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.263 0.554 . . . . 0.0 110.736 -170.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -60.81 -38.91 87.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.917 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' A' ' 622' ' ' ASP . 55.4 mtt180 -66.07 -40.33 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -66.41 -42.51 87.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.84 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -57.31 -40.89 78.81 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.791 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -58.26 -38.7 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.334 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.69 -47.4 81.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.467 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.75 -37.6 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 121.117 0.484 . . . . 0.0 110.08 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.491 ' HA ' ' HD2' ' A' ' 633' ' ' LYS . . . -64.16 -39.22 93.54 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.597 0.713 . . . . 0.0 109.619 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.48 -38.91 91.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.044 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.57 84.16 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' A' ' 630' ' ' ALA . 12.0 mttm -61.75 -48.09 82.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.271 0.558 . . . . 0.0 110.428 177.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.68 -47.58 76.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.314 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.95 -41.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.02 -39.5 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.478 0.656 . . . . 0.0 109.819 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 637' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -62.56 -41.87 99.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.76 -0.734 . . . . 0.0 111.934 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.84 -39.47 77.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.087 0.47 . . . . 0.0 110.373 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.474 ' HE2' ' HD2' ' A' ' 656' ' ' LYS . 24.7 mmt -64.88 -52.84 54.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.614 -174.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -66.23 -39.79 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.167 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.5 mt-10 -60.74 -39.34 88.32 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.787 0.327 . . . . 0.0 111.432 -176.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.0 p -95.59 -22.54 17.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.917 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.01 -69.05 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.94 0.98 1.32 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.174 0.59 . . . . 0.0 112.066 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.1 m -158.24 151.33 22.84 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -65.43 -42.15 92.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.15 -43.09 96.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.3 -37.42 87.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.973 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.72 -49.97 71.6 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.257 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.535 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 83.0 t80 -65.0 -43.58 92.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.785 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -55.9 -49.23 74.01 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.058 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.78 -40.8 95.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.601 ' O ' HG12 ' A' ' 657' ' ' ILE . 11.3 mt -63.65 -49.75 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.907 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.79 96.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.82 -51.1 63.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.323 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.474 ' HD2' ' HE2' ' A' ' 639' ' ' MET . 27.9 ttmt -68.15 -44.96 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.482 -175.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 653' ' ' LEU . 37.6 pt -59.75 -39.18 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.182 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -62.4 -40.17 95.64 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 117.864 0.302 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.57 -50.45 73.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.674 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.788 HD13 HD12 ' B' ' 845' ' ' LEU . 20.0 mt -69.6 -42.62 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.435 0.636 . . . . 0.0 110.231 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.394 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.38 -43.35 96.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.034 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' B' ' 850' ' ' MET . 47.4 mt -62.81 -39.71 95.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.834 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.47 -49.41 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.898 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -39.65 88.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.067 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.3 -41.86 99.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.444 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -74.32 -29.91 61.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.165 0.507 . . . . 0.0 109.842 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.771 178.886 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 C--O 1.232 0.174 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.788 HD12 HD13 ' A' ' 660' ' ' ILE . 2.6 mt -77.09 126.0 85.97 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 -173.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.52 175.07 11.07 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.811 2.341 . . . . 0.0 113.418 -174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.7 m -54.84 -40.19 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.84 -49.55 70.8 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.4 mm -65.06 -40.89 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.569 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.414 ' HG3' ' CD2' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -60.86 -43.27 98.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.506 176.731 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.403 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -60.54 -50.36 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.28 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.29 -38.74 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.269 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 854' ' ' LEU . . . . . 0.414 HD23 ' O ' ' B' ' 850' ' ' MET . 3.7 mm? -63.65 -39.41 94.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.909 176.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.2 -30.01 68.99 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 110.721 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.443 176.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 121.34 0.591 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -55.16 -40.81 71.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.625 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.666 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 6.0 pt -59.93 -41.3 85.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.649 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.48 HD12 ' CE2' ' C' ' 134' ' ' TYR . 2.1 mm? -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.357 . . . . 0.0 110.464 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 16.5 m -60.8 -23.79 65.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.07 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -140.45 55.03 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.53 0.681 . . . . 0.0 109.83 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -114.83 100.78 53.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.891 -178.207 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' C' ' 131' ' ' ARG . 18.5 Cg_endo . . . . . 0 CA--C 1.529 0.265 0 C-N-CA 122.639 2.226 . . . . 0.0 113.262 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.523 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 36.4 t80 . . . . . 0 C--O 1.225 -0.217 0 CA-C-O 120.494 0.188 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -59.97 -41.29 91.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 136' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' C' ' 136' ' ' LYS . 8.0 tmtm? -57.5 -56.33 23.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.27 -33.59 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.385 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 650' ' ' TYR . 19.3 tp -64.4 -49.73 70.42 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.884 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -65.47 -50.07 66.7 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.88 -48.48 74.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.331 0.586 . . . . 0.0 111.795 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.535 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 34.8 tp -67.38 -37.04 82.53 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.611 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 16.3 p -63.87 2.11 0.55 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -169.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 CA--C 1.549 0.923 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 178.165 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.6 m80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.833 0.349 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 46.6 t -120.66 104.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.2 p -102.04 168.26 9.51 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.954 -167.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -55.53 -39.79 70.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.797 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -58.97 -49.35 78.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.91 -49.17 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.01 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 604' ' ' VAL . 81.2 mtp180 -61.95 -43.04 99.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 47.7 m -58.63 -39.3 80.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' HIS . . . . . 0.431 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 38.2 m170 -64.27 -40.06 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 653' ' ' LEU . 24.5 mt -65.48 -46.87 78.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.389 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -59.57 -40.65 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 120.887 0.375 . . . . 0.0 110.65 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -57.65 -39.79 77.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.553 ' HZ3' ' HG ' ' C' ' 141' ' ' LEU . 54.0 mtpt -64.1 -38.64 91.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.789 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -46.99 80.75 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.51 -45.68 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.446 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -55.67 -38.64 69.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.03 72.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.46 0.648 . . . . 0.0 110.534 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.433 ' CD1' HD11 ' A' ' 628' ' ' LEU . 48.3 mt -89.5 -36.04 8.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.492 -176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.11 84.97 55.02 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.012 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.18 -41.9 15.17 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.171 1.914 . . . . 0.0 112.556 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 39.1 p -131.61 75.14 77.09 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.302 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -80.87 140.86 13.03 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.78 1.653 . . . . 0.0 111.783 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.2 168.04 15.43 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.42 ' HA ' HD12 ' A' ' 620' ' ' LEU . 50.8 Cg_exo -51.97 -36.27 63.88 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.215 1.943 . . . . 0.0 113.164 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.7 56.07 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 122.195 -0.315 . . . . 0.0 111.238 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.76 -42.22 64.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.1 mt -65.39 -30.07 70.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.007 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -95.62 11.96 31.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.59 0.233 . . . . 0.0 111.46 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.67 133.46 35.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -39.72 83.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.68 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.18 -40.62 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 110.12 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 2.0 tmt? -65.75 -39.98 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.851 176.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.72 -39.76 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.285 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -58.82 -39.11 80.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 611' ' ' ILE . 41.4 tp -60.69 -42.14 96.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.057 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.53 -37.4 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.248 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.24 95.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 109.921 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.69 -40.02 91.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.016 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.69 88.94 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.248 0.546 . . . . 0.0 109.889 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 633' ' ' LYS . 13.5 tmtt? -59.25 -46.04 89.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.787 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -62.91 -49.04 76.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 78.0 t -57.24 -45.6 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.432 ' HG3' HG22 ' A' ' 604' ' ' VAL . 5.7 tm-20 -61.99 -39.61 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 109.806 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 637' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.09 -38.81 87.95 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.687 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.24 -37.93 81.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.482 0.658 . . . . 0.0 110.367 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.403 ' HE2' ' HD2' ' A' ' 656' ' ' LYS . 22.2 mmt -63.94 -49.02 74.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.959 -175.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.97 -39.69 94.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 47.3 mt-10 -64.61 -40.5 95.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.178 0.513 . . . . 0.0 110.915 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 -29.58 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.876 -174.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.33 -70.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.34 8.93 2.33 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.38 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.2 m -156.1 158.33 37.54 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -65.14 -49.79 68.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.739 0.304 . . . . 0.0 111.669 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.88 -43.32 96.41 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.567 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.13 -36.45 84.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.407 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.49 -50.44 73.05 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.46 ' HE2' ' CD1' ' C' ' 138' ' ' LEU . 55.9 t80 -65.88 -44.18 86.09 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.9 0.381 . . . . 0.0 110.417 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -61.82 -44.73 96.26 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.615 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.23 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 657' ' ' ILE . 14.0 mt -59.32 -49.28 78.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.17 96.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.098 0.475 . . . . 0.0 110.308 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.54 ' OE2' HD21 ' C' ' 128' ' ' LEU . 18.6 tp10 -59.98 -51.34 70.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.827 -177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 20.9 ttmt -68.26 -43.32 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.489 -176.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.3 pt -62.18 -39.34 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.519 ' CE2' ' HG2' ' C' ' 131' ' ' ARG . 6.6 t80 -60.47 -39.56 88.08 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.369 0.532 . . . . 0.0 111.192 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.491 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 0.8 OUTLIER -58.94 -50.92 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.882 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.815 HD13 HD12 ' B' ' 845' ' ' LEU . 23.8 mt -68.98 -44.37 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.459 0.647 . . . . 0.0 110.183 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -54.67 -40.93 69.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.145 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 110.092 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 16.3 tt0 -65.62 -38.73 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.787 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.582 HD21 ' SD ' ' B' ' 850' ' ' MET . 31.2 mt -56.55 -41.83 77.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.24 -45.87 89.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.1 -38.85 92.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.806 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -57.27 -49.06 77.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.66 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -73.52 -23.21 59.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 110.191 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.056 178.069 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 50.4 pt . . . . . 0 C--O 1.233 0.21 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.815 HD12 HD13 ' A' ' 660' ' ' ILE . 2.6 mt -79.07 122.16 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.523 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.65 173.87 10.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.567 2.178 . . . . 0.0 112.773 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 26.8 t -57.79 -41.47 82.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -49.02 71.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 46.0 mm -65.42 -41.28 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 110.741 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.582 ' SD ' HD21 ' A' ' 664' ' ' LEU . 30.7 mmt -65.19 -38.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.468 -178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.34 -37.76 62.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.942 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -57.44 -49.81 75.06 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.142 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 853' ' ' VAL . . . . . 0.533 HG12 ' O ' ' B' ' 850' ' ' MET . 9.2 p -66.45 -39.69 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.17 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 854' ' ' LEU . . . . . 0.404 HD23 ' O ' ' B' ' 850' ' ' MET . 4.0 mm? -55.92 -38.98 70.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 175.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 855' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' B' ' 855' ' ' LYS . 4.3 ttmp? -99.62 17.97 19.18 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.261 0.553 . . . . 0.0 110.497 -174.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 122.109 -0.37 . . . . 0.0 110.807 -178.224 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -56.47 -40.25 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.66 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.71 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.5 OUTLIER -65.62 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.603 HD22 HG12 ' C' ' 127' ' ' ILE . 2.2 mm? -66.88 -45.99 76.35 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.365 0.602 . . . . 0.0 110.186 -176.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 37.6 m -57.88 -34.53 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.129 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 130' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' C' ' 130' ' ' ARG . 4.7 tpm_? -131.44 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.71 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 12.3 tpt180 -112.97 119.08 43.48 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo . . . . . 0 C--O 1.236 0.396 0 C-N-CA 123.21 2.607 . . . . 0.0 113.557 -172.682 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.593 ' CZ ' HD12 ' C' ' 128' ' ' LEU . 24.4 t80 . . . . . 0 C--O 1.225 -0.205 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -64.04 -41.95 97.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.167 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.84 -43.87 90.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.4 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 137' ' ' ILE . . . . . 0.657 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 29.3 pt -75.16 -40.96 44.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.668 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 14.3 tp -55.63 -47.92 75.81 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -63.72 -49.4 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.36 -42.08 93.17 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.413 0.625 . . . . 0.0 111.197 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.657 ' HB2' ' O ' ' C' ' 137' ' ' ILE . 12.8 tp -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.551 -171.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 2.2 p -68.47 -26.81 65.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.418 0.628 . . . . 0.0 111.542 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.316 -0.875 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.278 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 74.9 t -103.09 113.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.527 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 45.8 p -97.33 176.89 5.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -175.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -62.15 -38.94 90.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.65 -48.28 81.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.717 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.89 -40.73 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.46 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 604' ' ' VAL . 77.2 mtp180 -63.75 -50.53 68.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.471 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 41.7 t -55.66 -42.03 74.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.364 -177.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 42.1 m80 -65.53 -40.35 92.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.501 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.91 -46.89 76.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.927 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.8 t -64.15 -40.52 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.108 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.29 -46.09 83.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.488 ' HD3' HD11 ' C' ' 141' ' ' LEU . 97.5 mttt -56.4 -39.26 72.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.943 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.5 95.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.945 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.33 -49.19 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 175.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 612' ' ' PHE . 16.5 mm100 -55.36 -37.31 67.32 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.333 0.587 . . . . 0.0 110.523 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.13 -39.73 79.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.006 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 31.8 mt -90.99 -36.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.243 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -126.7 102.85 25.07 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.399 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 20.8 Cg_endo -58.25 -41.62 64.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.723 2.282 . . . . 0.0 112.869 -174.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.9 t -162.7 89.17 1.32 Allowed Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 121.287 0.565 . . . . 0.0 111.147 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.72 146.01 59.14 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.472 2.114 . . . . 0.0 111.904 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -86.01 161.58 49.34 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.032 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.513 ' HA ' HD12 ' A' ' 620' ' ' LEU . 51.3 Cg_exo -51.45 -37.6 62.04 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 113.543 -175.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.65 -21.46 44.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.0 -0.437 . . . . 0.0 110.994 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.72 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.437 0.637 . . . . 0.0 110.1 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.1 mt -65.83 -22.41 66.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.284 -175.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -99.17 10.81 40.7 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.88 143.37 26.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.671 0.272 . . . . 0.0 110.364 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.26 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.156 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -66.41 -41.35 89.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.46 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.8 tmt? -66.14 -38.92 89.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.002 176.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.96 -39.45 68.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.648 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -58.48 -38.32 77.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 625' ' ' MET . 21.0 tp -63.5 -49.46 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.19 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -40.49 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.521 0.677 . . . . 0.0 110.861 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.17 82.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.232 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.69 -42.65 99.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.129 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.11 95.12 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.209 0.528 . . . . 0.0 110.108 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -62.58 -43.97 97.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.09 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.6 -42.83 95.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 111.297 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.453 ' O ' ' HG2' ' A' ' 639' ' ' MET . 54.7 t -59.15 -44.76 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.437 177.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.068 0.461 . . . . 0.0 109.981 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.06 95.94 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.115 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.46 -38.92 89.0 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 26.0 mmt -56.05 -45.17 79.33 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.628 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -55.76 -41.44 73.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.988 0.423 . . . . 0.0 111.02 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.55 -47.36 73.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 10.8 p -88.04 -53.21 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.411 ' HB2' HD12 ' A' ' 652' ' ' LEU . . . -56.13 -48.26 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.4 t30 72.41 -29.57 0.2 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.491 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 10.7 m -125.35 159.67 31.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.997 0.362 . . . . 0.0 110.71 -173.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.505 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 62.2 mtp180 -66.57 -51.16 59.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.46 -41.62 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 110.449 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.41 -35.76 81.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.293 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 646' ' ' ARG . 16.6 t80 -55.32 -47.72 75.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.328 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.73 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 39.1 t80 -67.24 -43.81 80.99 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.036 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -57.42 -44.78 84.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.743 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 643' ' ' ALA . 38.6 mt -64.58 -38.3 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.18 -42.37 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.716 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.32 90.79 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.091 0.472 . . . . 0.0 110.702 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.762 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 30.9 tt0 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.624 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -63.49 -49.39 73.74 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.976 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 33.7 pt -64.0 -38.53 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.635 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -59.88 -44.03 94.44 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 117.779 0.263 . . . . 0.0 111.046 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -55.93 -49.16 74.26 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 111.408 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.443 HD13 HD11 ' B' ' 845' ' ' LEU . 42.9 mt -65.6 -51.23 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.489 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -56.79 -40.85 76.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.021 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.39 -49.63 74.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -64.74 -40.12 94.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.963 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.25 -41.74 80.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.982 0.42 . . . . 0.0 110.43 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.81 -47.64 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -39.55 94.99 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.265 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -73.28 -31.26 63.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.157 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.704 -179.549 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.636 HD12 ' H ' ' B' ' 845' ' ' LEU . 0.4 OUTLIER -88.94 143.28 31.19 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.644 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.61 167.68 7.92 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.308 2.005 . . . . 0.0 112.199 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.3 t -54.5 -37.86 65.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.306 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -53.59 -46.76 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.473 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.99 -44.48 96.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.046 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -63.27 -43.28 98.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.5 178.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.87 -41.04 97.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.066 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.53 -45.92 85.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.921 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.78 -38.66 89.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.459 172.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 855' ' ' LYS . . . . . 0.511 ' HA ' ' HE3' ' B' ' 855' ' ' LYS . 0.1 OUTLIER -68.87 -24.15 64.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -176.247 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.353 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 . . . . . 0 C--O 1.237 0.434 0 CA-C-O 121.286 0.565 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.79 -41.54 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 113.658 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 7.0 pt -59.1 -40.46 80.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.323 0.51 . . . . 0.0 110.842 -175.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.431 HD12 ' CZ ' ' C' ' 134' ' ' TYR . 0.6 OUTLIER -65.12 -40.56 94.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.323 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 11.2 t -56.08 -37.84 69.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.316 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -152.79 89.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.458 0.647 . . . . 0.0 110.169 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.614 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.32 130.01 24.06 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.245 179.221 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo . . . . . 0 C--N 1.347 0.453 0 C-N-CA 122.59 2.193 . . . . 0.0 111.923 177.26 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.762 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 10.5 m-85 . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 120.918 0.39 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -53.69 -40.1 65.72 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -76.56 -60.3 2.4 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.86 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 137' ' ' ILE . . . . . 0.526 HG13 ' N ' ' C' ' 138' ' ' LEU . 28.5 pt -77.71 -50.76 19.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.206 -173.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.526 ' N ' HG13 ' C' ' 137' ' ' ILE . 9.2 tp -56.02 -42.74 76.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.129 0.422 . . . . 0.0 111.479 -172.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -63.99 -52.73 58.22 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.702 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.02 -46.52 70.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 111.518 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.488 HD11 ' HD3' ' A' ' 606' ' ' LYS . 20.2 tp -62.0 -38.27 87.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.407 -170.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.73 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 6.4 p -66.84 -33.62 76.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.333 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 83.7 t60 . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 121.076 0.465 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 68.9 t -101.38 122.78 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.087 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 38.6 p -107.82 170.08 8.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.234 -176.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -40.31 73.07 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.085 0.24 . . . . 0.0 111.098 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.49 -49.85 76.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.01 -40.83 81.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.457 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 604' ' ' VAL . 41.3 mtp180 -62.84 -45.14 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.41 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.0 m -58.36 -40.66 82.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.147 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 602' ' ' HIS . . . . . 0.558 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 69.1 m80 -64.8 -40.63 95.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.125 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.409 HD23 ' HD3' ' A' ' 606' ' ' LYS . 22.0 mt -65.38 -49.08 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.968 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -60.8 -40.54 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.489 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -58.49 -39.89 81.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.676 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 29.1 mtpp -57.43 -40.13 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 177.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.53 HD11 ' HZ2' ' A' ' 656' ' ' LYS . 7.5 mt -63.3 -51.04 67.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.445 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.54 -49.02 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.355 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -57.92 -39.02 76.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.184 0.516 . . . . 0.0 110.526 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.6 94.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.475 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 46.7 mt -86.82 -36.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.076 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.4 OUTLIER -130.56 104.11 16.07 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 19.0 Cg_endo -56.83 -40.83 81.39 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.159 2.572 . . . . 0.0 113.553 -170.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.8 t -157.75 90.81 2.3 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 121.369 0.604 . . . . 0.0 111.258 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 137.88 36.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 111.706 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -84.19 164.58 42.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.203 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.67 -36.04 40.0 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.513 2.142 . . . . 0.0 113.81 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.97 -23.43 31.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.311 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.33 70.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.553 0.692 . . . . 0.0 109.958 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.76 -26.52 65.27 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.883 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -94.19 -0.37 55.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.135 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.15 148.69 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.184 0.516 . . . . 0.0 110.74 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -62.99 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.48 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.432 ' HG2' ' CE1' ' B' ' 852' ' ' PHE . 0.3 OUTLIER -58.65 -45.17 89.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 17.0 tpt -59.77 -39.01 83.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.927 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.94 -38.67 67.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -57.76 -40.16 79.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.64 -48.68 73.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.395 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.73 -38.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.106 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.538 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -60.4 -39.98 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.091 -176.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.39 84.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -175.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 5.0 mtpt -64.5 -46.23 83.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.081 0.467 . . . . 0.0 110.357 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -58.89 -49.78 76.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.317 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -46.55 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.596 ' HA ' ' OE1' ' A' ' 636' ' ' GLU . 0.7 OUTLIER -64.3 -39.46 93.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 -177.485 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.61 -37.22 74.84 Favored Glycine 0 CA--C 1.516 0.148 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.9 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.65 -37.58 79.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.186 -0.507 . . . . 0.0 112.058 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.53 ' HG3' HD21 ' A' ' 653' ' ' LEU . 22.4 mmt -55.63 -40.91 72.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -55.19 -39.55 69.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.66 -40.58 88.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.6 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.7 p -88.22 -36.64 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.21 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.17 -9.21 1.18 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.306 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 39.9 m -155.35 157.92 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.01 -0.431 . . . . 0.0 109.978 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 22.6 ttp180 -66.68 -46.42 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.646 0.26 . . . . 0.0 111.529 -177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.37 -40.07 96.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.123 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.27 -37.31 87.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.941 0.401 . . . . 0.0 110.003 173.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 17.9 t80 -57.36 -50.25 73.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.729 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 89.7 t80 -66.28 -41.04 90.4 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.193 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -56.5 -47.27 79.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.241 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.44 -38.77 92.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.3 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 649' ' ' TYR . 86.7 mt -66.21 -39.92 89.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.406 ' HB1' ' CE2' ' C' ' 134' ' ' TYR . . . -59.47 -47.19 86.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.043 177.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.572 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 34.4 tt0 -59.31 -40.26 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.442 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.53 ' HZ2' HD11 ' A' ' 607' ' ' LEU . 29.6 ttpt -64.03 -49.17 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.783 -178.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 44.4 pt -65.12 -37.77 81.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.843 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.69 -39.38 93.79 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.069 0.395 . . . . 0.0 110.302 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.585 ' HG2' HG22 ' B' ' 844' ' ' ILE . 0.2 OUTLIER -62.1 -41.1 97.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 177.564 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.511 HG12 HD11 ' B' ' 845' ' ' LEU . 36.6 mt -64.27 -48.66 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.553 0.692 . . . . 0.0 109.532 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.41 -47.57 69.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.919 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 662' ' ' LYS . 65.7 mmtt -65.35 -39.28 92.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.46 -43.1 93.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.036 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.9 mt -62.58 -41.32 98.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.403 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.07 -50.48 71.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.652 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -38.7 91.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.677 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -64.18 -43.61 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.24 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -76.1 -26.54 56.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.197 0.522 . . . . 0.0 110.152 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.471 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 844' ' ' ILE . . . . . 0.585 HG22 ' HG2' ' A' ' 659' ' ' LYS . 30.8 pt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 660' ' ' ILE . 3.8 mp -76.89 124.79 87.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.971 -164.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.51 178.48 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.732 2.288 . . . . 0.0 112.277 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -57.14 -48.32 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -173.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.02 -49.65 68.42 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.18 -40.5 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.088 0.47 . . . . 0.0 110.47 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.414 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 4.5 mmt -64.08 -41.07 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.912 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.76 -39.72 74.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.208 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 852' ' ' PHE . . . . . 0.432 ' CE1' ' HG2' ' A' ' 624' ' ' ARG . 27.3 t80 -62.58 -49.88 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.793 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.22 -38.06 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.13 -38.84 91.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.142 -0.349 . . . . 0.0 111.122 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -72.59 -45.21 60.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--N 1.324 -0.543 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.359 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 125' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' C' ' 125' ' ' ARG . 37.6 ttp180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.545 0.212 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.83 -42.6 79.92 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.712 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.657 HG12 HD22 ' C' ' 128' ' ' LEU . 0.6 OUTLIER -64.21 -40.17 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.209 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.657 HD22 HG12 ' C' ' 127' ' ' ILE . 2.7 mm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 32.2 t -61.16 -31.18 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -129.14 54.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.491 0.662 . . . . 0.0 110.073 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 17.5 tpt180 -106.21 122.96 40.49 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.652 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--N 1.342 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 111.84 -178.202 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.572 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 7.7 m-85 . . . . . 0 C--O 1.224 -0.241 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -54.49 -39.97 68.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 136' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' C' ' 136' ' ' LYS . 0.0 OUTLIER -72.19 -67.17 0.56 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.87 174.158 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 137' ' ' ILE . . . . . 0.435 HG13 ' N ' ' C' ' 138' ' ' LEU . 47.0 pt -78.13 -47.78 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.586 HD12 ' CE2' ' A' ' 650' ' ' TYR . 6.1 tp -57.01 -48.65 77.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 117.688 0.222 . . . . 0.0 111.487 -173.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -65.06 -53.09 51.0 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.88 -47.09 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.162 0.506 . . . . 0.0 112.077 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.524 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 59.0 tp -62.02 -41.36 98.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.729 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 70.8 p -77.17 -3.0 37.32 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.101 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 121.125 0.488 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.417 HG13 HD23 ' A' ' 599' ' ' LEU . 40.5 t -107.91 131.66 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 82.4 p -90.07 172.31 8.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.416 -171.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -37.8 86.09 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.52 -49.12 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.753 -174.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.417 HD23 HG13 ' A' ' 595' ' ' VAL . 29.6 tp -58.62 -43.12 89.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.589 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.523 ' O ' HG23 ' A' ' 604' ' ' VAL . 19.8 mtm180 -65.55 -41.13 93.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.2 m -55.56 -40.42 71.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 110.511 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -64.67 -40.74 95.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.501 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 603' ' ' LEU . 14.9 mt -64.84 -48.97 72.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.367 -178.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -57.11 -44.64 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.044 0.45 . . . . 0.0 110.322 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.6 t-80 -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.477 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -58.03 -40.45 80.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.944 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.3 OUTLIER -55.92 -49.76 72.57 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.65 -43.76 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.414 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.1 mm100 -56.83 -41.36 77.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.195 0.521 . . . . 0.0 111.341 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.85 91.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.906 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 607' ' ' LEU . 45.1 mt -79.5 -35.18 16.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.759 -175.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -132.16 100.93 15.24 Favored Pre-proline 0 N--CA 1.449 -0.495 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 24.4 Cg_endo -59.92 -34.5 95.22 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.988 2.459 . . . . 0.0 113.277 -175.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.2 t -171.58 94.17 0.42 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.309 0.576 . . . . 0.0 110.43 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.19 128.07 4.8 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.076 1.85 . . . . 0.0 113.113 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.59 155.04 15.13 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.963 170.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.477 ' HA ' HD12 ' A' ' 620' ' ' LEU . 9.5 Cg_endo -53.83 -38.28 85.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.594 2.196 . . . . 0.0 111.48 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -58.28 -34.02 70.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -74.14 -49.71 22.58 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 110.38 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.4 mt -54.32 -30.86 52.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 3.82 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 110.859 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 619' ' ' ALA . 18.7 t0 -96.2 141.18 29.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.66 -174.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -57.95 -38.36 75.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.309 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.458 ' HD2' ' CE1' ' B' ' 852' ' ' PHE . 60.7 mtm180 -59.06 -44.51 91.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.109 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 629' ' ' VAL . 16.3 tpt -65.13 -42.53 93.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.86 -45.33 78.5 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -61.96 -38.65 89.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.74 -49.91 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.064 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 625' ' ' MET . 3.4 t -57.27 -38.48 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.547 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -62.2 -39.02 91.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.431 0.634 . . . . 0.0 110.286 -176.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 635' ' ' VAL . 35.0 t80 -60.72 -44.37 96.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.949 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.29 89.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.863 -174.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.547 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 6.1 mtpt -64.85 -49.35 70.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -60.09 -46.35 89.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.344 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 631' ' ' TYR . 67.6 t -63.6 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.341 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.03 -39.53 66.26 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.04 96.96 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.25 -39.54 89.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 110.731 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.4 mmt -64.26 -51.08 65.33 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.86 -174.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -55.66 -46.6 77.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.877 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.01 -49.5 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.911 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 39.8 m -75.73 -36.52 59.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -60.94 -59.31 5.58 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.56 -17.01 0.5 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.681 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 11.8 m -132.83 156.06 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -66.37 -50.64 62.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -61.02 -46.65 89.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -174.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.49 -37.08 86.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.65 -49.57 77.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.142 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.577 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 76.4 t80 -65.84 -43.49 88.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 109.963 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -57.81 -48.29 80.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.792 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.8 -51.26 70.08 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.051 0.219 . . . . 0.0 111.27 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.96 -40.66 87.53 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.99 97.16 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 110.202 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.593 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 40.9 tt0 -64.46 -40.82 96.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.293 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -64.7 -50.59 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.859 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.74 -40.64 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.363 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.448 ' HB3' ' OH ' ' C' ' 134' ' ' TYR . 74.7 t80 -66.08 -45.2 82.13 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.27 0.486 . . . . 0.0 110.969 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -55.05 -51.09 67.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.769 HG21 HD12 ' B' ' 845' ' ' LEU . 18.5 mt -68.92 -42.91 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.007 0.432 . . . . 0.0 111.07 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.99 -44.1 74.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -64.78 -39.78 94.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.145 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 17.3 tp10 -57.99 -40.86 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.574 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.08 -42.41 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.451 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.52 -46.74 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.563 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.0 OUTLIER -61.97 -39.6 92.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.956 178.536 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.71 -45.78 81.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.005 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -77.38 -29.44 53.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.34 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 . . . . . 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.201 -179.095 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 38.0 pt . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 660' ' ' ILE . 3.3 mt -74.56 115.01 39.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.628 0.251 . . . . 0.0 110.356 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 846' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' B' ' 850' ' ' MET . 24.7 Cg_exo -64.16 169.43 10.7 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 0.0 113.412 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.4 m -54.33 -40.53 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.23 0.331 . . . . 0.0 111.456 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.9 -49.62 70.76 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.468 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.2 -39.73 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.047 0.451 . . . . 0.0 110.493 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 846' ' ' PRO . 10.4 mmt -56.46 -38.11 71.22 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.129 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -54.78 -39.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.355 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 852' ' ' PHE . . . . . 0.458 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 12.0 m-30 -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.287 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.57 -44.0 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.608 0.242 . . . . 0.0 111.57 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.46 -40.88 96.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -95.2 17.52 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.337 0.589 . . . . 0.0 110.773 -173.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.536 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -56.38 -40.31 74.37 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.901 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 2.0 pt -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.486 HD22 HG12 ' C' ' 127' ' ' ILE . 1.5 mm? -65.46 -41.98 92.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.92 -176.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 28.1 t -63.28 -14.54 50.73 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.86 48.03 1.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.519 ' NE ' ' HA ' ' C' ' 131' ' ' ARG . 0.0 OUTLIER -114.53 105.21 53.92 Favored Pre-proline 0 C--N 1.323 -0.563 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.443 -178.646 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' C' ' 131' ' ' ARG . 52.7 Cg_endo . . . . . 0 N--CA 1.464 -0.207 0 C-N-CA 122.482 2.121 . . . . 0.0 112.1 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.625 ' O ' ' HB3' ' C' ' 138' ' ' LEU . 49.3 m-85 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 120.673 0.273 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.01 -39.19 68.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.7 -65.7 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.968 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 137' ' ' ILE . . . . . 0.436 HG13 ' N ' ' C' ' 138' ' ' LEU . 41.5 pt -85.71 -46.99 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.625 ' HB3' ' O ' ' C' ' 134' ' ' TYR . 1.8 tp -58.36 -42.03 86.04 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.998 0.428 . . . . 0.0 111.091 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.32 -50.96 61.85 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.87 -0.519 . . . . 0.0 111.658 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.28 -50.23 61.19 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.544 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 53.1 tp -62.55 -39.75 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.874 -172.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.56 -21.3 64.55 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.137 -175.919 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.5 HG13 HD23 ' A' ' 599' ' ' LEU . 34.6 t -86.3 134.89 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -96.79 167.97 10.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -61.02 -38.31 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.86 -46.02 85.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.679 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.5 HD23 HG13 ' A' ' 595' ' ' VAL . 44.8 tp -55.0 -46.71 75.18 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 110.422 178.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 604' ' ' VAL . 48.4 mtm105 -62.46 -43.49 98.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.251 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 30.8 m -58.38 -40.09 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -64.05 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 653' ' ' LEU . 17.3 mt -64.35 -42.05 96.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.343 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.5 t -62.63 -42.88 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.885 0.374 . . . . 0.0 110.392 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.15 -40.97 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.53 -38.89 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.65 175.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -47.68 84.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.897 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.14 -46.11 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.279 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -55.05 -37.69 67.05 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.026 0.441 . . . . 0.0 110.497 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.17 -38.71 77.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.599 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.4 mt -86.99 -38.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -127.68 108.18 20.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.181 -176.004 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.4 Cg_endo -62.8 -41.56 29.67 Favored 'Trans proline' 0 N--CA 1.473 0.266 0 C-N-CA 122.768 2.312 . . . . 0.0 112.585 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.1 t -160.65 107.25 1.32 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.81 143.23 23.34 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 111.991 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -83.25 162.55 53.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.421 ' HA ' HD12 ' A' ' 620' ' ' LEU . 48.5 Cg_exo -53.5 -39.15 83.29 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.234 1.956 . . . . 0.0 113.044 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.24 57.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -42.39 63.28 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.432 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.9 mt -65.88 -28.99 69.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.925 -173.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.477 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -91.38 0.47 57.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.905 0.384 . . . . 0.0 111.259 -179.406 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 11.7 t70 -96.56 148.61 22.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.514 -172.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.13 -36.85 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.427 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.82 -47.03 74.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.898 0.38 . . . . 0.0 110.173 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.433 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.8 tpt -65.41 -41.85 93.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.746 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 40.5 mt-10 -58.96 -41.04 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.61 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -63.69 -39.29 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.155 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.21 -46.9 87.22 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.281 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 625' ' ' MET . 3.2 t -64.08 -38.39 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.512 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 630' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.02 -40.74 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.922 0.391 . . . . 0.0 110.239 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.78 94.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.229 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.77 -46.7 84.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.105 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 634' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 34.8 mmtp -63.19 -46.88 85.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.975 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.28 -43.11 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.522 ' HA ' ' CE ' ' A' ' 639' ' ' MET . 1.5 tm-20 -55.55 -39.83 71.12 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.84 -44.68 97.09 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.774 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.9 -42.89 84.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 110.82 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.522 ' CE ' ' HA ' ' A' ' 636' ' ' GLU . 67.9 mtm -64.27 -41.47 96.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.159 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.28 -42.98 87.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.184 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.3 -40.75 81.66 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.5 p -89.05 -21.75 23.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 -63.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 74.3 -29.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.035 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.3 m -132.53 158.45 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.973 -0.455 . . . . 0.0 109.931 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.01 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 0.0 110.75 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -64.16 -40.81 96.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.642 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.55 -37.71 79.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.338 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.533 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 1.0 OUTLIER -59.27 -50.09 75.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.387 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.712 ' HE2' HD12 ' C' ' 138' ' ' LEU . 67.8 t80 -65.28 -39.46 92.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.189 177.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -56.25 -45.24 80.12 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.7 -39.07 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 603' ' ' LEU . 96.5 mt -62.83 -40.67 98.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.419 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' C' ' 134' ' ' TYR . . . -62.96 -49.35 75.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.625 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.78 -38.63 91.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 5.3 tmtm? -64.02 -48.23 77.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 34.0 pt -65.35 -40.07 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.979 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.8 -38.1 89.85 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 121.955 -0.466 . . . . 0.0 111.079 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -56.53 -44.39 80.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.775 HG12 HD12 ' B' ' 845' ' ' LEU . 7.6 mt -63.46 -48.47 86.93 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.395 0.617 . . . . 0.0 109.553 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -54.2 -42.51 69.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.045 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -64.36 -41.63 96.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 32.1 tp10 -65.01 -42.76 94.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.996 0.426 . . . . 0.0 110.447 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.5 -42.17 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.177 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.0 tp10 -64.44 -43.01 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.252 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 666' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.1 OUTLIER -62.87 -39.9 95.87 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.177 -179.578 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -61.47 -40.09 93.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.867 0.365 . . . . 0.0 110.494 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -67.63 -34.34 76.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 77.6 mtp180 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.341 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 121.137 0.494 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.775 HD12 HG12 ' A' ' 660' ' ' ILE . 0.0 OUTLIER -103.14 165.44 13.6 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.045 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.17 139.78 33.01 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.525 2.15 . . . . 0.0 111.453 173.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 17.0 p -54.81 -38.25 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.793 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.59 -43.9 72.55 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.259 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.9 mm -64.66 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.292 0.568 . . . . 0.0 109.768 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 31.4 mmt -64.86 -40.29 94.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -58.3 -39.27 78.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.381 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.12 -48.85 74.49 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.262 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.72 -38.58 82.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.96 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 110.768 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.25 -39.64 74.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.959 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 120.807 0.337 . . . . 0.0 110.733 -177.889 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.694 0.283 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.01 -40.41 73.34 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.454 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.694 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 3.6 pt -63.45 -37.91 80.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.587 HD12 ' CD1' ' C' ' 134' ' ' TYR . 1.6 mm? -68.49 -42.54 78.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.137 -175.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.7 m -55.44 -40.22 71.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.173 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.51 49.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 109.964 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.694 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.13 101.1 52.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.906 177.466 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.478 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 58.0 Cg_exo . . . . . 0 C--N 1.344 0.336 0 C-N-CA 123.173 2.582 . . . . 0.0 112.663 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.607 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 91.2 t80 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -57.9 -42.68 85.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.749 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 136' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 29.1 mtpp -61.23 -55.21 34.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.23 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.7 pt -66.76 -32.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.712 HD12 ' HE2' ' A' ' 650' ' ' TYR . 11.3 tp -62.91 -42.51 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.233 0.54 . . . . 0.0 111.049 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -66.7 -52.51 43.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.62 -51.36 51.12 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.665 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 33.8 tp -60.03 -40.13 88.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.901 -173.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.44 -15.1 63.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.989 0.423 . . . . 0.0 111.745 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.089 -173.331 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.3 t60 . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 120.606 0.241 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.84 122.72 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.932 -0.48 . . . . 0.0 110.176 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -103.14 167.44 9.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.873 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -59.86 -39.53 85.52 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -49.93 70.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 32.9 tp -55.56 -46.08 77.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.034 0.445 . . . . 0.0 110.317 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.588 ' O ' HG23 ' A' ' 604' ' ' VAL . 43.7 ttp180 -58.84 -46.76 86.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.9 m -57.61 -38.55 75.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.457 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.748 0.308 . . . . 0.0 110.306 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.12 -41.31 95.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.281 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -62.74 -40.27 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.864 177.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -59.48 -40.16 86.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.276 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -61.4 -37.17 82.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.16 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 607' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.2 OUTLIER -55.11 -44.45 74.97 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.421 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 608' ' ' VAL . . . . . 0.474 HG21 HG13 ' A' ' 629' ' ' VAL . 52.8 t -64.83 -46.14 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.894 0.378 . . . . 0.0 111.429 176.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -55.72 -38.29 69.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.04 86.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.761 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 607' ' ' LEU . 31.6 mt -82.87 -36.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.437 -175.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.28 99.24 6.51 Favored Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.57 -41.42 48.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 112.96 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.5 t -157.81 104.59 1.77 Allowed Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.155 0.502 . . . . 0.0 111.689 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.432 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 1.7 Cg_endo -83.9 145.78 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 171.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -81.46 166.4 38.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.135 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 620' ' ' LEU . 75.8 Cg_exo -47.74 -34.79 22.13 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.717 2.278 . . . . 0.0 113.903 -177.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.94 -27.52 28.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.934 -0.479 . . . . 0.0 110.837 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.96 65.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.548 . . . . 0.0 110.14 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.4 mt -59.24 -37.36 77.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.064 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -94.99 16.8 15.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.63 154.12 17.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -55.35 -38.72 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.233 0.333 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' B' ' 852' ' ' PHE . 9.9 tpp180 -58.4 -40.37 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.003 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.9 tpt -66.02 -44.83 83.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.589 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -63.56 -43.93 95.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -61.0 -39.51 89.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.876 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 41.9 tp -60.25 -49.83 76.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 625' ' ' MET . 2.5 t -65.63 -40.16 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.549 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.491 0.662 . . . . 0.0 110.099 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.69 -39.87 81.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.406 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.92 93.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.448 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.569 ' HD2' ' H ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -65.44 -40.91 93.83 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.842 0.353 . . . . 0.0 110.437 178.84 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.81 -49.67 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.547 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.51 -46.45 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 173.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.4 -40.03 70.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.737 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 637' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.52 -49.16 75.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.165 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.25 -39.82 86.2 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 122.157 0.979 . . . . 0.0 109.554 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 11.3 ttp -65.98 -50.55 63.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.511 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -58.73 -39.46 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 641' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.7 mt-10 -66.34 -40.03 89.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.9 m -83.25 -25.59 31.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.628 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.97 5.93 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.527 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 61.6 t30 69.27 -18.68 0.19 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.71 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.6 m -148.29 167.48 25.06 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.834 -0.541 . . . . 0.0 110.825 -175.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -64.83 -50.27 67.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.747 0.308 . . . . 0.0 111.777 -175.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.98 -46.51 90.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.627 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.5 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.182 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.2 t80 -58.13 -51.03 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.076 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 1.074 ' HE1' HD12 ' C' ' 138' ' ' LEU . 57.9 t80 -65.2 -42.07 93.92 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 651' ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 11.4 t-160 -58.19 -46.59 85.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.055 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.09 -39.84 93.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.449 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.614 ' O ' HG12 ' A' ' 657' ' ' ILE . 41.7 mt -59.69 -47.21 86.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.292 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.21 97.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.405 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.722 ' OE1' HD11 ' C' ' 128' ' ' LEU . 50.6 mm-40 -64.5 -49.42 71.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.85 -48.0 70.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.31 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 653' ' ' LEU . 39.7 pt -64.47 -40.68 89.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.189 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -65.64 -41.07 93.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 117.966 0.348 . . . . 0.0 110.669 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -56.02 -51.13 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.793 HD13 HD12 ' B' ' 845' ' ' LEU . 20.6 mt -69.55 -43.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.233 0.539 . . . . 0.0 110.361 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -53.88 -45.35 71.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.789 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -62.67 -40.93 98.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.379 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.86 -43.89 97.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.334 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.478 HD21 ' SD ' ' B' ' 850' ' ' MET . 81.8 mt -63.02 -39.92 96.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.663 176.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 15.1 tp10 -64.13 -50.74 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.208 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -39.25 93.98 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.045 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -64.31 -40.2 95.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -78.07 -30.92 49.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 21.8 mmm180 . . . . . 0 C--N 1.327 -0.383 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.456 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 844' ' ' ILE . . . . . 0.505 ' HA ' HD11 ' A' ' 660' ' ' ILE . 33.0 pt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.793 HD12 HD13 ' A' ' 660' ' ' ILE . 3.5 mt -77.13 131.4 72.72 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.018 0.437 . . . . 0.0 111.731 -168.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.15 168.14 22.28 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.11 2.54 . . . . 0.0 113.087 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.04 -43.55 73.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.11 -49.83 68.25 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 28.8 mm -66.47 -40.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.478 ' SD ' HD21 ' A' ' 664' ' ' LEU . 6.1 mmt -64.97 -40.98 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.141 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.88 -38.8 76.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 852' ' ' PHE . . . . . 0.499 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 57.9 t80 -63.2 -43.2 98.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.627 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 853' ' ' VAL . . . . . 0.471 HG12 ' O ' ' B' ' 850' ' ' MET . 10.2 p -65.9 -38.57 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.808 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.22 -38.46 86.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 110.553 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -63.83 -30.69 71.75 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.942 0.401 . . . . 0.0 110.206 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -56.08 -39.23 71.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.974 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.495 HG13 ' HD3' ' C' ' 131' ' ' ARG . 1.6 pt -62.76 -38.32 81.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.819 0.342 . . . . 0.0 110.272 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.722 HD11 ' OE1' ' A' ' 655' ' ' GLU . 1.5 mm? -64.65 -41.36 96.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 110.112 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.3 m -56.38 -23.56 38.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.421 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -156.83 73.63 0.77 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.598 ' HB3' ' HB3' ' C' ' 134' ' ' TYR . 14.3 mtp180 -114.68 105.7 53.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 38.0 Cg_exo . . . . . 0 C--N 1.344 0.295 0 C-N-CA 123.189 2.593 . . . . 0.0 113.153 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 34.0 t80 . . . . . 0 C--O 1.224 -0.282 0 CA-C-O 120.609 0.242 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.416 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 136' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -58.6 -56.16 25.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 32.4 pt -70.78 -30.71 43.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.052 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 1.074 HD12 ' HE1' ' A' ' 650' ' ' TYR . 6.1 tp -56.42 -45.64 80.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.304 0.378 . . . . 0.0 111.087 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -65.98 -52.56 48.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.88 -53.58 20.37 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.598 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 22.8 tp -56.93 -38.49 72.97 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.573 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 57.7 p -70.91 -16.97 62.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.422 0.629 . . . . 0.0 110.765 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.317 -0.83 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.893 -177.102 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.1 t60 . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 42.6 t -110.48 120.75 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 74.5 p -102.64 155.06 18.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.205 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -37.39 74.61 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.904 0.383 . . . . 0.0 110.074 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -57.25 -48.96 77.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.6 -41.94 82.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.413 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 604' ' ' VAL . 52.0 ttt180 -64.15 -48.53 75.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.3 m -56.97 -40.63 76.86 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -61.88 -39.81 93.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.59 -45.0 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.48 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -60.28 -40.95 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.701 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 25.8 m80 -59.61 -42.47 92.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.248 176.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -63.09 -38.3 90.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -46.78 76.96 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.17 -48.22 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.498 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 14.6 mm100 -57.7 -39.46 77.22 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.033 0.444 . . . . 0.0 111.274 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.61 86.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 56.5 mt -82.82 -36.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.082 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.461 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -127.3 99.16 28.18 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.477 -176.658 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 19.7 Cg_endo -56.02 -38.61 94.48 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.934 2.423 . . . . 0.0 112.818 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.5 t -161.19 95.57 1.38 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.369 0.604 . . . . 0.0 111.086 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.56 137.05 62.03 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.567 2.178 . . . . 0.0 111.64 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 616' ' ' ASP . . . . . 0.506 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.3 p30 -84.92 162.33 50.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.878 -178.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.6 Cg_endo -45.95 -44.91 18.22 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.0 2.467 . . . . 0.0 113.455 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.33 56.92 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.51 -42.76 61.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.218 0.532 . . . . 0.0 109.943 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.5 mt -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.675 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -93.5 3.9 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.171 -179.726 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -96.8 137.08 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.395 0.617 . . . . 0.0 111.172 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 623' ' ' ARG . 3.9 ptp180 -63.54 -37.21 86.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.831 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -63.91 -40.28 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -65.96 -40.15 91.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.133 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -54.17 -39.92 67.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -55.7 -38.59 69.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.332 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.68 -44.96 94.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.792 0.33 . . . . 0.0 110.314 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.3 -38.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.219 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.3 93.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.224 0.535 . . . . 0.0 110.028 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -65.4 -40.51 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.22 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.54 94.4 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.194 0.521 . . . . 0.0 109.849 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.69 -47.55 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.006 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.1 -45.28 95.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.303 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.77 -44.24 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -55.81 -39.27 71.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.07 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.45 -43.61 90.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.276 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.18 -39.59 94.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.94 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 23.9 mmt -65.09 -50.4 66.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.402 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.09 -44.65 97.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.872 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.73 -40.41 88.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 8.2 t -87.2 -30.97 20.59 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.559 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -63.5 -69.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 t30 60.93 6.69 1.27 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.036 0.534 . . . . 0.0 112.076 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.2 m -147.09 151.04 36.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 646' ' ' ARG . 46.8 mtm105 -65.01 -48.27 74.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 111.509 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.68 -49.09 79.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.447 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.89 -36.74 85.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.739 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 649' ' ' TYR . . . . . 0.446 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.1 t80 -56.1 -51.24 68.61 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.955 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.664 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 88.0 t80 -66.42 -42.59 87.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 110.593 175.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -59.02 -42.66 90.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.593 -175.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.67 -43.62 92.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.678 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.438 ' O ' HG12 ' A' ' 657' ' ' ILE . 55.2 mt -65.19 -41.22 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.58 81.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.979 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.17 -41.01 95.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -65.33 -48.47 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.362 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.1 pt -64.38 -38.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.144 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.18 -44.85 90.75 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.182 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 1.3 tmtp? -55.33 -50.53 69.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.797 HD13 HD12 ' B' ' 845' ' ' LEU . 21.1 mt -69.12 -45.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.979 0.418 . . . . 0.0 110.396 -177.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -54.27 -48.87 70.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.47 -40.34 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 0.0 110.206 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 35.4 tt0 -64.85 -40.36 95.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.031 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.715 HD21 ' SD ' ' B' ' 850' ' ' MET . 99.1 mt -58.67 -46.01 88.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.454 176.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.27 -40.78 94.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.922 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 666' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.51 -39.53 93.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.486 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.04 -40.27 94.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -179.035 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -73.45 -26.85 61.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.41 0.624 . . . . 0.0 109.776 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 669' ' ' ARG . 40.7 ttm180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.797 HD12 HD13 ' A' ' 660' ' ' ILE . 3.6 mt -78.51 119.06 75.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -168.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -78.91 178.14 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.766 2.311 . . . . 0.0 111.928 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 29.4 t -55.97 -48.72 75.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.793 -173.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -54.66 -49.85 69.61 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.35 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.234 0.54 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.715 ' SD ' HD21 ' A' ' 664' ' ' LEU . 10.5 mmt -65.5 -37.0 85.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.481 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.65 -38.41 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.19 -50.0 74.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.317 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 853' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 850' ' ' MET . 8.5 p -66.38 -38.41 81.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 120.741 0.305 . . . . 0.0 111.422 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.22 -39.71 94.54 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.6 0.238 . . . . 0.0 110.799 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -78.3 -51.79 9.6 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.612 0.244 . . . . 0.0 111.33 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 121.002 0.43 . . . . 0.0 110.402 -176.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.23 -38.6 71.3 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -175.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.61 HG12 HD22 ' C' ' 128' ' ' LEU . 0.7 OUTLIER -61.73 -36.93 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.61 HD22 HG12 ' C' ' 127' ' ' ILE . 2.6 mm? -67.71 -42.71 81.52 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.828 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.8 t -68.14 -17.31 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.527 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 130' ' ' ARG . . . . . 0.58 ' O ' ' HD3' ' C' ' 132' ' ' PRO . 3.4 tpm_? -115.08 68.14 0.7 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.554 ' HB2' ' HB3' ' C' ' 134' ' ' TYR . 24.8 ptt180 -109.52 97.02 25.18 Favored Pre-proline 0 N--CA 1.445 -0.689 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.387 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.672 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -1.157 0 C-N-CA 122.761 2.307 . . . . 0.0 110.114 168.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.554 ' HB3' ' HB2' ' C' ' 131' ' ' ARG . 73.3 t80 . . . . . 0 C--O 1.224 -0.285 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 136' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -53.37 -59.0 5.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 137' ' ' ILE . . . . . 0.434 HD12 HD11 ' A' ' 657' ' ' ILE . 21.6 pt -69.21 -37.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.351 -177.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.576 HD12 ' CE2' ' A' ' 650' ' ' TYR . 13.3 tp -60.94 -45.79 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 -178.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.6 -50.87 63.47 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.042 -0.411 . . . . 0.0 111.381 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.84 -51.79 51.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 20.9 tp -62.63 -39.16 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.862 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.664 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 78.8 p -76.69 -17.26 59.22 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 111.297 -175.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.425 -171.462 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.0 t -122.34 124.49 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.4 p -100.89 159.99 14.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.747 0.308 . . . . 0.0 111.353 -175.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -62.91 -38.73 92.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.53 -43.83 80.23 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.635 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.76 -46.11 77.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.909 0.385 . . . . 0.0 110.225 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.629 ' O ' HG23 ' A' ' 604' ' ' VAL . 44.5 mtm180 -62.83 -41.21 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.686 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.8 m -56.63 -41.75 77.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.22 0.533 . . . . 0.0 110.747 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -65.56 -40.33 92.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.29 -43.54 90.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.648 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.8 t -59.69 -40.73 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.61 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.437 ' O ' ' HG3' ' A' ' 609' ' ' GLN . 26.2 m80 -61.71 -40.7 95.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.595 176.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -63.64 -39.5 94.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.79 -47.99 80.98 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.795 176.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.53 -47.21 93.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 605' ' ' HIS . 95.3 mt-30 -56.32 -38.66 71.61 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.032 0.444 . . . . 0.0 111.363 -177.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.66 79.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.743 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.417 HD13 HD11 ' B' ' 845' ' ' LEU . 50.9 mt -89.51 -35.0 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.519 -176.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.91 99.66 41.13 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.028 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.524 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 59.4 Cg_endo -70.4 -42.15 2.95 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 122.392 2.061 . . . . 0.0 113.222 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 41.6 p -105.66 86.28 1.76 Allowed Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 615' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 41.6 Cg_exo -59.04 150.06 75.62 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.002 1.802 . . . . 0.0 112.287 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -137.86 126.99 14.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.152 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.469 ' HA ' HD12 ' A' ' 620' ' ' LEU . 12.2 Cg_endo -56.71 -33.36 93.63 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.572 2.848 . . . . 0.0 113.774 -174.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 618' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.85 -19.25 24.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.718 0.294 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 625' ' ' MET . . . -73.37 -37.29 66.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.516 0.674 . . . . 0.0 109.872 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.3 mt -63.59 -20.5 65.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.542 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -100.17 7.82 44.28 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -95.94 145.26 25.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -58.73 -40.67 84.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -65.93 -50.67 63.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 111.148 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 619' ' ' ALA . 0.9 OUTLIER -66.21 -40.05 90.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.028 -179.199 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.65 -40.71 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.616 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.27 -37.77 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.028 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.85 -44.22 93.8 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.394 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.01 -37.32 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.101 0.477 . . . . 0.0 109.901 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.72 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.429 0.633 . . . . 0.0 109.555 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -62.28 -41.75 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.727 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.47 98.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 633' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 633' ' ' LYS . 4.2 tmtm? -64.35 -42.77 96.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.085 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -64.25 -42.84 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.56 -48.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.15 -42.62 86.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.22 -40.39 96.68 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.63 -46.44 87.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.651 0.262 . . . . 0.0 110.549 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.15 -40.48 94.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -55.56 -39.89 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.586 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.0 -42.28 94.61 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.682 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 15.1 m -90.01 -25.86 20.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.188 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.69 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.127 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 46.16 23.6 0.21 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.85 0.86 . . . . 0.0 112.9 -174.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 16.5 m -157.06 154.41 29.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -65.32 -51.15 62.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 0.0 111.626 -175.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.01 -40.7 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.312 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.06 -38.22 90.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -62.7 -50.04 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.856 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.515 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 75.8 t80 -64.93 -41.46 95.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -64.35 -39.54 94.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.354 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.77 -39.5 94.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.649 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 41.2 mt -63.19 -40.95 98.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.783 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.34 97.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.264 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.59 -49.56 72.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 29.9 ttmt -67.11 -40.51 86.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.507 -173.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -61.3 -40.94 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.885 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -65.93 -38.63 89.16 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 122.317 -0.239 . . . . 0.0 110.945 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.32 -50.21 70.18 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.31 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' B' ' 845' ' ' LEU . 69.0 mt -65.44 -49.38 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.987 0.422 . . . . 0.0 110.388 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.512 ' HA ' HD12 ' A' ' 664' ' ' LEU . 40.9 tt0 -55.02 -40.45 70.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.211 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.4 -47.87 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.157 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 28.9 tt0 -65.24 -38.51 90.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.775 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 661' ' ' GLN . 95.2 mt -54.48 -40.72 68.75 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.478 177.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.1 -49.24 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 1.0 OUTLIER -65.67 -43.24 89.92 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.662 -175.251 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.642 ' HE3' ' SD ' ' B' ' 850' ' ' MET . 1.1 ptpm? -64.85 -40.35 95.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.048 0.451 . . . . 0.0 110.44 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -72.86 -22.26 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.28 0.562 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.35 -179.785 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.478 ' HA ' ' HD3' ' B' ' 846' ' ' PRO . 3.7 mt -77.34 124.24 86.96 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.857 0.36 . . . . 0.0 111.294 -173.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 846' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 20.2 Cg_exo -65.94 169.22 13.73 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.024 2.483 . . . . 0.0 112.625 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.5 p -55.48 -40.79 72.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.678 0.275 . . . . 0.0 111.46 -176.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.67 -51.88 61.76 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.797 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.4 mm -67.45 -43.47 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.228 0.537 . . . . 0.0 110.927 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.642 ' SD ' ' HE3' ' A' ' 667' ' ' LYS . 3.6 mmt -64.56 -46.85 81.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.683 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.42 -39.98 81.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.589 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -64.64 -49.71 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.193 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.3 -38.97 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.252 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.0 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.93 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -91.59 34.9 0.96 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.252 0.548 . . . . 0.0 110.885 -175.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.771 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.104 0.478 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.16 -41.23 92.37 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.021 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.633 ' O ' ' HG3' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -64.63 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.0 109.894 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.536 HD22 HG12 ' C' ' 127' ' ' ILE . 0.8 OUTLIER -67.8 -38.29 83.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.146 -177.518 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 33.9 t -53.64 -34.0 57.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.186 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 130' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 130' ' ' ARG . 43.2 ttm180 -164.95 85.65 0.41 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 112.164 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' C' ' 127' ' ' ILE . 5.9 mtp180 -113.51 124.7 30.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 166.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo . . . . . 0 C--N 1.345 0.392 0 C-N-CA 123.154 2.569 . . . . 0.0 112.842 176.131 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' C' ' 138' ' ' LEU . 12.2 t80 . . . . . 0 C--O 1.228 -0.076 0 CA-C-O 120.845 0.355 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.49 -41.17 93.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.66 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -57.16 -59.59 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.351 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 137' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 27.4 pt -66.97 -38.42 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.343 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' C' ' 134' ' ' TYR . 10.5 tp -57.22 -47.16 82.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.393 0.616 . . . . 0.0 111.686 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -56.71 -49.13 76.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.492 -176.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.35 -48.05 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.449 0.642 . . . . 0.0 111.104 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.515 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 11.2 tp -57.19 -42.18 80.75 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.61 -1.177 . . . . 0.0 112.838 -171.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 6.8 p -68.9 -30.21 68.64 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -174.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.314 -0.954 0 CA-C-O 120.724 0.297 . . . . 0.0 110.228 -173.44 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.857 0.361 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 60.8 t -127.94 125.06 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.3 p -99.0 154.22 18.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.157 0.504 . . . . 0.0 111.739 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -63.32 -36.82 84.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.372 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -55.9 -40.81 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.039 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 61.2 tp -57.54 -49.66 75.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.851 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.614 ' O ' HG23 ' A' ' 604' ' ' VAL . 56.0 mtm180 -62.9 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 20.0 m -57.97 -40.8 81.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.795 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 602' ' ' HIS . . . . . 0.404 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 24.1 m80 -65.55 -40.79 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.488 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' A' ' 606' ' ' LYS . 17.7 mt -65.45 -48.03 74.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.218 -176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -58.59 -40.65 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.066 0.46 . . . . 0.0 110.173 177.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 20.0 t-80 -62.07 -41.33 98.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.425 ' HD2' HD23 ' A' ' 603' ' ' LEU . 68.2 mttm -59.61 -39.99 86.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.677 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -46.11 90.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.895 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.94 -47.36 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.385 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.3 mm100 -55.5 -37.39 67.8 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.082 0.467 . . . . 0.0 110.898 -177.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.27 71.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.5 mt -90.33 -39.63 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.206 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -124.09 102.83 33.79 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 613' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.9 Cg_endo -64.05 -36.02 50.73 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 122.603 2.202 . . . . 0.0 113.321 -176.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.4 t -141.69 105.38 5.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 121.405 0.621 . . . . 0.0 110.632 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.23 132.61 53.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.237 2.625 . . . . 0.0 113.038 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.23 137.02 20.33 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.532 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.43 ' HA ' HD12 ' A' ' 620' ' ' LEU . 6.8 Cg_endo -47.04 -47.76 16.05 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.074 2.516 . . . . 0.0 113.285 -174.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.27 -25.38 54.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.616 0.246 . . . . 0.0 111.354 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 619' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 625' ' ' MET . . . -72.72 -40.63 65.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.003 0.43 . . . . 0.0 110.109 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.7 mt -58.08 -36.6 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.211 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -93.44 12.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 -177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -98.39 155.34 17.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.52 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 623' ' ' ARG . 2.1 tmt_? -55.2 -38.65 68.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 0.0 110.091 174.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.712 ' HA ' ' OD1' ' A' ' 627' ' ' ASN . 30.4 mmt180 -57.67 -38.69 75.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.964 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.3 tpt -60.25 -43.23 96.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.061 175.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.28 -48.91 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -176.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 627' ' ' ASN . . . . . 0.712 ' OD1' ' HA ' ' A' ' 624' ' ' ARG . 2.2 p-10 -65.37 -38.66 90.73 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.887 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.7 -50.04 75.1 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.531 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 625' ' ' MET . 5.9 t -59.51 -37.4 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.394 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.32 82.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 635' ' ' VAL . 77.4 t80 -57.52 -44.05 84.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.144 175.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.75 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.268 0.556 . . . . 0.0 109.928 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -51.09 67.53 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.18 -45.04 88.24 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.934 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.584 ' O ' ' HG2' ' A' ' 639' ' ' MET . 71.6 t -57.9 -49.18 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.947 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.01 -40.73 77.22 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.955 0.407 . . . . 0.0 110.3 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.99 92.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.398 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.86 -39.72 91.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.812 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.4 mmt -57.09 -50.83 71.58 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -60.67 -39.7 89.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.039 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.31 -39.9 93.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.86 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 30.4 p -94.51 -47.95 6.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -171.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 643' ' ' ALA . . . . . 0.57 ' HA ' ' OE2' ' A' ' 648' ' ' GLU . . . -53.64 -60.94 2.66 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.712 0.405 . . . . 0.0 111.902 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.96 -9.7 0.45 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.701 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.0 m -132.53 147.22 52.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 647' ' ' ASP . 36.6 ptt180 -61.16 -49.56 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 647' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 646' ' ' ARG . 10.8 p-10 -63.2 -45.42 91.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.282 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.57 ' OE2' ' HA ' ' A' ' 643' ' ' ALA . 38.1 tt0 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.265 176.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.25 -49.99 75.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.729 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.738 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 83.2 t80 -65.66 -44.45 86.25 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.88 -42.9 76.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.188 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.25 -41.26 94.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.6 -43.44 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.46 86.18 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 121.014 0.435 . . . . 0.0 110.776 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.485 ' OE1' HD21 ' C' ' 128' ' ' LEU . 15.1 tp10 -61.97 -39.79 93.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.183 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -65.71 -47.92 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.871 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -64.05 -39.66 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.958 -175.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 1.229 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 7.0 t80 -64.55 -39.59 94.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.071 0.396 . . . . 0.0 110.708 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 659' ' ' LYS . 0.2 OUTLIER -55.51 -47.07 76.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.332 179.208 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.485 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 71.6 mt -65.8 -50.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 110.106 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.445 ' HA ' HD12 ' A' ' 664' ' ' LEU . 23.6 tp60 -55.01 -48.07 73.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.864 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 662' ' ' LYS . . . . . 1.229 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 56.8 mtpt -64.48 -39.36 93.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.36 . . . . 0.0 110.72 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.48 -40.72 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.057 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 86.5 mt -59.28 -47.38 85.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.573 176.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 33.4 tt0 -67.58 -49.8 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.169 -173.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -56.73 -40.27 75.43 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.483 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 22.0 pttm -64.95 -37.2 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.253 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -74.4 -25.62 59.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.118 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 32.5 mmt180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 174.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.461 0.102 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.571 ' H ' HD22 ' B' ' 845' ' ' LEU . 0.0 OUTLIER -79.42 158.3 74.08 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.764 -178.633 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.45 168.34 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.569 2.18 . . . . 0.0 113.017 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 t -57.43 -38.53 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.2 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.44 -48.56 65.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.182 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 7.6 mm -66.18 -40.32 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.218 0.532 . . . . 0.0 110.333 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.463 ' O ' HG12 ' B' ' 853' ' ' VAL . 3.6 mmt -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.623 -177.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.17 -39.12 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.573 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 852' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 624' ' ' ARG . 44.9 t80 -62.58 -49.18 76.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.441 -178.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 853' ' ' VAL . . . . . 0.463 HG12 ' O ' ' B' ' 850' ' ' MET . 8.6 p -64.15 -38.36 82.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.915 0.388 . . . . 0.0 110.798 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.12 -38.49 86.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -82.58 -10.51 58.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.689 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.234 0.54 . . . . 0.0 112.011 -177.496 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.09 0.472 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.17 -39.37 69.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.56 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.7 pt -63.32 -40.21 88.2 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.096 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.555 HD12 ' CD1' ' C' ' 134' ' ' TYR . 2.0 mm? -62.46 -42.92 99.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.183 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -55.74 -24.72 36.73 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.768 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -142.62 59.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 109.766 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 1.4 tpm_? -112.67 99.61 48.17 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.175 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' C' ' 136' ' ' LYS . 76.9 Cg_exo . . . . . 0 C--N 1.343 0.264 0 C-N-CA 123.394 2.73 . . . . 0.0 113.748 -177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.555 ' CD1' HD12 ' C' ' 128' ' ' LEU . 58.3 t80 . . . . . 0 C--O 1.218 -0.557 0 N-CA-C 110.763 -0.088 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' C' ' 135' ' ' ARG . 23.7 ttt180 -61.87 -41.6 98.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.727 0.299 . . . . 0.0 110.611 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 136' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' C' ' 132' ' ' PRO . 8.2 tmtt? -59.14 -56.55 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.8 pt -67.24 -35.28 73.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.679 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.619 HD12 ' CE2' ' A' ' 650' ' ' TYR . 13.9 tp -57.39 -50.16 73.87 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 123.014 0.196 . . . . 0.0 111.229 -177.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.66 -52.61 50.37 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.96 -49.35 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.456 0.646 . . . . 0.0 112.076 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 tp -64.06 -37.82 88.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.574 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.738 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 84.9 p -70.2 1.13 5.12 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.558 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.052 0.454 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 599' ' ' LEU . 83.0 t -118.77 126.05 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 29.0 p -105.15 166.88 10.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.873 0.368 . . . . 0.0 111.814 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -64.34 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.589 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.48 -39.97 92.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.219 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.43 HD23 HG13 ' A' ' 595' ' ' VAL . 38.4 tp -57.86 -43.7 86.09 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.631 ' O ' HG23 ' A' ' 604' ' ' VAL . 93.9 mtt180 -61.38 -42.82 99.33 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.374 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.6 m -55.9 -39.76 72.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -64.72 -41.18 96.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.176 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.14 -44.1 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.93 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -61.89 -40.94 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-O 121.17 0.509 . . . . 0.0 109.942 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 14.1 t60 -60.09 -45.54 92.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.602 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.477 ' HD3' HD11 ' C' ' 141' ' ' LEU . 96.2 mttt -60.72 -37.27 81.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.568 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -48.21 78.81 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.42 -43.83 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.5 mm100 -55.9 -38.42 70.19 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.038 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.35 -36.58 71.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.565 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.475 ' CD1' HD11 ' A' ' 628' ' ' LEU . 14.5 mt -85.3 -31.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.396 -173.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -151.0 114.95 3.16 Favored Pre-proline 0 N--CA 1.47 0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 110.774 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.13 -30.27 88.68 Favored 'Trans proline' 0 N--CA 1.479 0.619 0 C-N-CA 123.461 2.774 . . . . 0.0 114.273 -174.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.9 t -135.04 102.97 10.81 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.408 0.623 . . . . 0.0 111.695 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.87 130.16 21.2 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.012 2.474 . . . . 0.0 112.481 177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -75.93 152.92 84.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 620' ' ' LEU . 31.5 Cg_exo -57.3 -32.77 94.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.616 2.211 . . . . 0.0 112.333 178.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.37 -19.92 35.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 110.794 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -39.62 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.451 . . . . 0.0 110.482 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.5 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.657 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -100.1 6.83 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -86.59 129.09 35.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.932 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 626' ' ' GLU . 10.5 mtp180 -61.04 -38.02 84.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.07 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -64.73 -40.11 94.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.121 0.486 . . . . 0.0 109.832 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 629' ' ' VAL . 2.0 tmt? -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.717 175.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 623' ' ' ARG . 30.2 tt0 -55.71 -42.65 75.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -58.21 -39.74 79.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.387 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 611' ' ' ILE . 25.3 tp -64.68 -43.77 92.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 625' ' ' MET . 2.6 t -59.51 -36.98 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 120.955 0.407 . . . . 0.0 109.973 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.26 96.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.984 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.41 -43.53 94.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.129 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.76 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.132 0.492 . . . . 0.0 110.199 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -64.9 -44.25 90.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.322 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -60.76 -49.27 78.17 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.768 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.78 -47.45 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.998 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -47.12 78.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.17 -50.05 53.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.17 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.7 -38.68 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.42 -0.39 . . . . 0.0 111.134 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 41.2 tpp -60.07 -49.53 77.28 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.004 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -57.52 -37.17 72.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.597 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.791 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 14.3 m -91.03 -30.67 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.693 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.32 2.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 122.788 0.435 . . . . 0.0 112.078 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.6 t30 72.56 -28.83 0.19 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.9 m -128.04 160.26 32.5 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.045 -0.409 . . . . 0.0 110.291 -172.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 646' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 646' ' ' ARG . 0.0 OUTLIER -66.27 -51.07 61.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 111.679 -175.363 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.5 -41.99 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.466 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.95 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.719 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.89 -49.7 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.266 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.559 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 83.5 t80 -64.95 -45.12 87.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.017 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -64.19 -41.24 97.17 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 -174.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.472 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 70.2 mt -65.09 -40.92 95.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.309 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 66.8 mt -66.78 -42.58 85.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.689 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.58 -43.87 96.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.942 0.401 . . . . 0.0 110.74 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.465 ' OE2' HD21 ' C' ' 128' ' ' LEU . 42.6 tt0 -64.05 -40.0 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 176.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -64.7 -50.72 65.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.744 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.4 pt -66.32 -38.74 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.693 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' TYR . . . . . 0.676 ' OH ' ' HD3' ' C' ' 131' ' ' ARG . 32.7 t80 -65.17 -49.3 70.33 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 120.537 0.208 . . . . 0.0 111.494 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.96 -43.85 86.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.583 -175.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 1.004 HG21 HD12 ' B' ' 845' ' ' LEU . 24.7 mt -69.19 -48.59 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 0.0 110.505 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -55.09 -44.6 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -56.64 -42.87 79.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.321 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 5.9 tp10 -65.53 -47.49 75.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.583 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.461 HD23 ' HD2' ' A' ' 667' ' ' LYS . 89.2 mt -56.95 -39.51 74.7 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.38 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.8 -48.42 81.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.43 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -39.72 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.31 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.461 ' HD2' HD23 ' A' ' 664' ' ' LEU . 68.5 mttm -56.56 -47.06 80.28 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.645 0.259 . . . . 0.0 111.305 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.72 -21.36 52.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 669' ' ' ARG . 41.7 ttp180 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 844' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 660' ' ' ILE . 3.1 mt . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 120.841 0.353 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 1.004 HD12 HG21 ' A' ' 660' ' ' ILE . 1.4 mt -80.82 147.32 62.01 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.66 151.17 86.32 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.964 2.443 . . . . 0.0 112.402 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.2 m -55.39 -39.62 70.38 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.408 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 848' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -59.91 -41.42 91.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.775 0.321 . . . . 0.0 111.515 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.8 mm -65.07 -40.97 90.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.547 ' HA ' ' HE3' ' B' ' 850' ' ' MET . 0.0 OUTLIER -58.44 -40.63 83.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 174.503 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 851' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 37.9 m-20 -55.24 -42.9 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.579 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -65.83 -52.2 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.301 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.75 -44.63 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.577 -176.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.3 -46.58 76.47 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -73.64 -60.17 2.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.014 -167.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 9.7 t30 . . . . . 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.682 -171.799 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.647 0.261 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.17 -41.29 71.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.175 -174.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.672 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 6.0 pt -66.61 -41.92 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.135 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.465 HD21 ' OE2' ' A' ' 655' ' ' GLU . 1.1 mm? -65.04 -38.14 89.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.445 -171.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 20.5 t -55.33 -17.1 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.15 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.79 45.43 2.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.676 ' HD3' ' OH ' ' A' ' 658' ' ' TYR . 4.2 mmp_? -112.47 102.86 54.99 Favored Pre-proline 0 N--CA 1.465 0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.478 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 CA--C 1.529 0.227 0 C-N-CA 122.833 2.355 . . . . 0.0 112.722 -179.421 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' C' ' 138' ' ' LEU . 83.7 t80 . . . . . 0 C--O 1.227 -0.116 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.461 ' C ' ' HD3' ' C' ' 135' ' ' ARG . 2.7 tmt_? -62.39 -42.83 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.701 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -52.87 -58.88 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.459 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.7 pt -69.11 -31.97 52.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.937 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.449 HD12 ' CE2' ' A' ' 650' ' ' TYR . 14.9 tp -57.93 -45.05 87.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.241 0.543 . . . . 0.0 110.846 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -66.58 -52.59 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.937 0.399 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 140' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' C' ' 143' ' ' SER . 16.4 m-20 -66.88 -47.14 72.75 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.489 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 8.7 tp -62.03 -36.71 82.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.437 -170.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 8.4 p -76.53 -1.95 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 143' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' C' ' 140' ' ' ASP . 21.2 t . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.7 t60 . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 120.927 0.394 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 595' ' ' VAL . . . . . 0.47 HG13 HD23 ' A' ' 599' ' ' LEU . 53.6 t -120.47 105.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.9 p -98.75 165.88 11.58 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.607 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -57.64 -37.67 73.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.771 173.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -55.62 -47.38 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.47 HD23 HG13 ' A' ' 595' ' ' VAL . 47.2 tp -59.78 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.688 176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.578 ' O ' HG23 ' A' ' 604' ' ' VAL . 37.3 mmm-85 -63.02 -49.67 73.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 10.9 t -58.25 -39.85 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.481 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -64.45 -40.01 94.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 18.5 mt -65.26 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.298 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.0 t -64.61 -41.26 91.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.379 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.04 -49.12 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 21.7 ptmt -61.68 -36.98 82.41 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -46.37 86.23 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.47 -45.16 98.61 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.825 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -55.76 -37.87 69.1 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.23 85.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.552 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.577 HG12 HG21 ' A' ' 660' ' ' ILE . 12.7 mt -84.47 -37.84 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.081 -176.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.83 104.82 9.79 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.07 -41.48 22.38 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 122.737 2.291 . . . . 0.0 113.775 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -155.07 90.53 2.99 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.798 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.91 147.08 26.67 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.686 2.257 . . . . 0.0 111.038 173.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.14 156.6 66.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.261 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 617' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 620' ' ' LEU . 50.2 Cg_exo -51.33 -38.12 61.86 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.511 2.141 . . . . 0.0 113.638 -173.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.77 -23.15 49.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.953 0.406 . . . . 0.0 110.58 -174.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.23 63.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.389 0.614 . . . . 0.0 110.013 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.7 mt -66.22 -25.44 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.588 -171.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -87.22 -6.25 58.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.356 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.539 ' OD1' ' HG2' ' A' ' 624' ' ' ARG . 14.5 t70 -95.23 155.31 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.51 0.672 . . . . 0.0 111.16 -172.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.462 ' HA ' ' OE1' ' A' ' 626' ' ' GLU . 38.5 ttm180 -58.08 -37.11 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.512 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.539 ' HG2' ' OD1' ' A' ' 622' ' ' ASP . 31.4 ptt180 -58.24 -41.36 84.01 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.855 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 77.1 mmm -67.34 -39.56 85.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.45 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' A' ' 623' ' ' ARG . 50.3 mt-10 -54.74 -40.49 69.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.683 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -62.03 -37.46 84.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 18.1 tp -61.0 -44.48 97.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.228 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.08 -38.2 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.266 0.555 . . . . 0.0 109.996 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -61.02 -43.14 99.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.246 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.47 95.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.053 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.91 -47.41 83.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.323 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -64.58 -45.66 86.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.027 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.4 -47.86 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.71 -39.06 87.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.208 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.7 -39.3 97.36 Favored Glycine 0 C--O 1.235 0.181 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.548 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.41 -39.95 85.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 21.6 mmt -59.23 -44.13 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -174.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.73 -39.79 74.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.253 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.53 -40.62 95.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -175.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.8 p -94.47 -29.05 15.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.039 0.447 . . . . 0.0 111.0 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.3 -67.53 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.784 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 64.0 t30 48.04 25.76 0.86 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.536 0.523 . . . . 0.0 112.12 -174.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 7.7 m -153.47 147.65 25.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -64.8 -47.09 79.35 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.13 -45.64 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.594 0.235 . . . . 0.0 110.984 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.12 -37.53 87.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.65 -49.29 75.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.57 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 64.5 t80 -64.97 -40.48 95.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -61.29 -40.96 96.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.321 -177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 652' ' ' LEU . . . . . 0.435 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 54.5 mt -65.78 -39.54 91.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.493 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.438 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 654' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -58.12 -40.76 82.05 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.413 0.625 . . . . 0.0 109.997 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.545 ' OE1' HD21 ' C' ' 128' ' ' LEU . 12.6 tp10 -61.48 -42.1 98.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.347 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.98 -48.94 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.441 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 657' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 654' ' ' ALA . 37.6 pt -63.37 -40.99 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.131 -174.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.15 -38.83 91.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.209 0.458 . . . . 0.0 110.938 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 659' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -57.86 -44.31 86.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.628 HG12 HD11 ' B' ' 845' ' ' LEU . 59.2 mt -64.46 -51.52 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.273 0.559 . . . . 0.0 110.432 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 661' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 664' ' ' LEU . 50.1 tt0 -55.37 -41.04 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.146 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -57.01 -49.11 76.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.824 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.08 -39.55 93.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.472 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 661' ' ' GLN . 85.5 mt -54.2 -49.19 69.97 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.283 0.563 . . . . 0.0 109.879 176.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.39 -46.96 74.88 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.121 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -41.54 87.51 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.578 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.42 ' HD3' ' HG ' ' B' ' 854' ' ' LEU . 58.4 tttp -62.95 -42.31 99.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 111.202 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -77.76 -32.43 52.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.278 -178.826 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 N--CA 1.462 0.161 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.628 HD11 HG12 ' A' ' 660' ' ' ILE . 3.6 mp -93.97 143.73 26.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 111.787 -170.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 846' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 21.9 Cg_exo -65.48 154.7 72.5 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.6 2.2 . . . . 0.0 111.699 174.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -55.17 -49.99 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -171.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -54.96 -44.55 74.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -172.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.2 mm -64.22 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.17 0.51 . . . . 0.0 109.977 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.5 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 12.2 mmt -65.47 -40.42 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.972 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -59.15 -39.73 83.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 852' ' ' PHE . . . . . 0.403 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 10.7 t80 -60.28 -50.5 73.4 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.265 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.77 -43.67 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.719 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 854' ' ' LEU . . . . . 0.42 ' HG ' ' HD3' ' A' ' 667' ' ' LYS . 4.0 mm? -64.91 -38.56 91.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.494 0.188 . . . . 0.0 111.371 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.68 -10.97 60.36 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 110.797 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 56.4 t30 . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.779 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.967 0.413 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -56.35 -39.69 73.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.707 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.726 HG12 HD22 ' C' ' 128' ' ' LEU . 0.8 OUTLIER -64.49 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.726 HD22 HG12 ' C' ' 127' ' ' ILE . 3.9 mm? -63.29 -41.51 98.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -176.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -57.75 -16.4 11.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.17 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -119.8 30.38 7.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.458 0.647 . . . . 0.0 110.176 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.722 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 4.0 mmp_? -113.54 100.86 52.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.576 2.184 . . . . 0.0 112.133 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.646 ' CD1' HD12 ' C' ' 128' ' ' LEU . 58.4 t80 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.758 0.313 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.16 -41.76 89.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.75 -54.97 20.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.03 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 137' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' C' ' 141' ' ' LEU . 45.9 pt -67.94 -27.44 37.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.975 -174.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' A' ' 650' ' ' TYR . 18.7 tp -58.28 -50.16 74.58 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.557 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.09 -51.51 37.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.155 0.502 . . . . 0.0 111.779 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -47.94 72.19 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' C' ' 137' ' ' ILE . 37.1 tp -65.2 -40.99 94.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.247 -169.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 142' ' ' SER . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 3.7 p -67.1 -33.82 76.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.645 -171.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 177.183 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 48.1 t60 . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.46 124.62 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 77.2 p -85.05 153.68 22.57 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.973 -171.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -38.13 87.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.12 -49.96 72.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.7 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.93 -45.02 91.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 604' ' ' VAL . 80.2 mtp180 -63.17 -48.5 78.15 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.105 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.4 t -57.34 -39.81 76.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.571 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -64.05 -40.69 96.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.021 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 603' ' ' LEU . 19.7 mt -65.61 -44.94 85.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.043 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.2 t -57.73 -43.91 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 25.4 m80 -62.69 -42.57 99.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 177.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.738 ' HD3' HD11 ' C' ' 141' ' ' LEU . 67.6 mttm -60.03 -38.93 84.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.085 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -47.62 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.73 -44.36 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.281 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.1 mm100 -58.41 -38.02 76.52 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.834 0.349 . . . . 0.0 111.625 -176.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.31 90.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.466 0.651 . . . . 0.0 110.373 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.3 mt -84.28 -29.22 7.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.223 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.2 87.5 33.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.768 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.07 -34.64 89.68 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.452 2.102 . . . . 0.0 112.394 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.3 p -124.72 77.32 64.62 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.09 151.13 49.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.018 1.812 . . . . 0.0 111.72 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -111.4 133.81 21.33 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.32 -28.51 53.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.454 2.77 . . . . 0.0 114.1 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 618' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.75 -12.41 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 111.478 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.18 67.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.64 -22.01 12.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -80.8 -22.49 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.956 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.17 148.25 50.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.515 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 623' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 623' ' ' ARG . 34.9 ttt180 -64.61 -40.79 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.362 -173.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.526 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.447 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -64.19 -40.81 96.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 0.0 109.795 176.536 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -56.01 -40.78 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.75 175.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.23 -38.35 86.33 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 628' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' A' ' 625' ' ' MET . 41.7 tp -60.79 -50.7 72.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.481 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.35 -37.96 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.394 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.28 94.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.408 ' O ' HG23 ' A' ' 635' ' ' VAL . 66.3 t80 -58.19 -44.25 87.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.454 177.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.79 96.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.217 0.532 . . . . 0.0 109.883 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.25 -46.79 85.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.845 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.9 -43.86 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.458 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 631' ' ' TYR . 60.6 t -58.54 -42.53 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.598 177.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 636' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 4.2 tp10 -54.56 -42.79 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.8 -51.27 41.84 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.114 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.8 -38.3 88.59 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.938 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 44.5 tpp -62.74 -49.58 74.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.767 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -55.17 -39.65 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.163 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.81 -39.76 91.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.422 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.2 p -85.81 -49.74 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.482 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -50.62 -68.56 0.16 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.664 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.28 13.45 5.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.518 0.675 . . . . 0.0 111.324 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 17.1 m -153.6 150.92 29.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -65.54 -46.44 79.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.62 0.248 . . . . 0.0 111.301 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.29 -45.06 89.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.307 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.27 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.506 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.81 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.745 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 62.8 t80 -66.87 -45.71 77.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.467 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -61.58 -44.67 96.6 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.175 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.55 -40.78 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.723 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.407 ' CD1' HD13 ' A' ' 603' ' ' LEU . 50.2 mt -66.72 -43.78 83.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.09 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.54 99.71 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.35 -40.58 93.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.53 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -64.27 -50.23 68.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.958 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 32.4 pt -66.02 -40.21 86.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.217 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -66.35 -44.83 82.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.829 0.286 . . . . 0.0 110.848 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -54.15 -50.75 66.24 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.281 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 0.923 HG21 HD12 ' B' ' 845' ' ' LEU . 17.4 mt -70.42 -46.6 70.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 0.0 110.751 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -55.25 -40.49 70.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.52 -43.89 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.264 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.14 -41.74 97.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.269 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 94.9 mt -58.73 -40.08 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.301 177.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.99 -50.83 62.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.76 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -40.51 96.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.238 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -62.37 -35.02 77.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 178.112 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -65.86 -16.05 63.47 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' A' ' 669' ' ' ARG . 6.1 mmp_? . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 121.048 0.451 . . . . 0.0 110.259 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.923 HD12 HG21 ' A' ' 660' ' ' ILE . 4.2 mt -78.19 128.57 77.95 Favored Pre-proline 0 C--O 1.233 0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.056 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.67 175.0 11.69 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.892 2.394 . . . . 0.0 113.185 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 15.1 m -55.47 -45.09 76.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -172.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.91 -49.13 69.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 24.0 mm -64.81 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 110.472 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 850' ' ' MET . . . . . 0.443 ' SD ' HD21 ' A' ' 664' ' ' LEU . 9.3 mmt -64.47 -40.72 96.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.578 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.1 -45.01 94.1 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 853' ' ' VAL . . . . . 0.531 HG13 HD22 ' B' ' 854' ' ' LEU . 7.9 p -64.22 -41.36 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.011 -176.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 854' ' ' LEU . . . . . 0.531 HD22 HG13 ' B' ' 853' ' ' VAL . 4.5 mm? -66.11 -38.4 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.55 0.214 . . . . 0.0 111.098 175.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -88.44 26.75 1.38 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.689 0.756 . . . . 0.0 110.512 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.744 177.065 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.02 0.438 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.67 -42.44 71.36 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.601 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.706 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.2 pt -65.11 -42.43 94.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.55 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.646 HD22 HG12 ' C' ' 127' ' ' ILE . 2.4 mm? -64.56 -46.43 82.83 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.583 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.6 m -57.62 -20.9 36.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 130' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' C' ' 130' ' ' ARG . 23.0 ttp85 -147.19 47.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.462 0.649 . . . . 0.0 111.069 -174.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.706 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 4.9 ttt180 -113.72 115.48 46.35 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.86 -0.525 . . . . 0.0 111.169 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo . . . . . 0 C--N 1.346 0.422 0 C-N-CA 123.944 3.096 . . . . 0.0 114.754 -171.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.441 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 66.5 t80 . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -60.99 -41.08 95.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -51.42 -57.7 8.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.956 175.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 34.7 pt -71.47 -37.4 64.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.832 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.586 HD12 ' HE2' ' A' ' 650' ' ' TYR . 42.3 tp -53.52 -48.68 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.43 0.292 . . . . 0.0 111.585 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.33 -53.21 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.891 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.63 -48.0 68.02 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.384 0.612 . . . . 0.0 112.01 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.745 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 15.4 tp -60.98 -39.58 90.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.805 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 92.3 p -80.53 -1.99 44.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.738 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.234 0.265 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -178.866 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 47.0 t60 . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 25.7 t -152.25 82.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.626 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.9 p -99.87 152.62 19.94 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.152 172.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.28 -36.6 84.61 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.009 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -55.88 -45.95 78.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.462 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.96 -49.63 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.596 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 600' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 604' ' ' VAL . 76.5 mtp180 -65.73 -46.49 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.626 -178.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 31.2 t -55.87 -39.81 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 602' ' ' HIS . . . . . 0.444 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 14.1 m-70 -65.69 -39.91 91.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.448 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.454 HD23 ' HD2' ' A' ' 606' ' ' LYS . 20.5 mt -65.95 -42.91 89.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.528 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 604' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.6 t -62.41 -40.57 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-O 121.122 0.487 . . . . 0.0 109.862 174.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -58.97 -40.81 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' LYS . . . . . 0.719 ' HD3' HD11 ' C' ' 141' ' ' LEU . 68.8 mttm -64.34 -37.55 87.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.194 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -41.98 95.29 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -46.95 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.838 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -55.98 -38.27 70.2 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.556 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.11 78.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.619 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 611' ' ' ILE . . . . . 0.416 ' O ' HG21 ' B' ' 853' ' ' VAL . 41.4 mt -83.27 -37.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.625 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -152.19 117.98 3.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.966 -171.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.74 -43.62 7.0 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.165 2.576 . . . . 0.0 115.661 -172.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 6.1 t -170.7 117.14 0.47 Allowed Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 118.827 0.74 . . . . 0.0 112.645 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -88.74 158.14 6.21 Favored 'Trans proline' 0 N--CA 1.478 0.575 0 C-N-CA 124.211 3.274 . . . . 0.0 114.65 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.79 165.93 22.81 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.596 168.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.72 -35.21 57.21 Favored 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 122.475 2.117 . . . . 0.0 114.331 -175.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.7 -14.19 58.34 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.996 -0.44 . . . . 0.0 111.867 -171.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.88 -30.23 63.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.05 0.928 . . . . 0.0 110.395 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.95 -16.33 57.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.974 -1.466 . . . . 0.0 112.431 -172.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 621' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.1 OUTLIER -90.11 -9.08 49.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.072 0.463 . . . . 0.0 111.412 -173.652 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 622' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 28.0 t70 -76.23 136.78 39.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.955 -175.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.61 -37.84 85.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.141 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 624' ' ' ARG . . . . . 0.48 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 5.6 tpp180 -56.87 -32.81 66.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 625' ' ' MET . . . . . 0.632 ' HA ' ' CZ ' ' B' ' 852' ' ' PHE . 2.0 tmt? -49.15 -36.57 19.67 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.641 1.176 . . . . 0.0 112.68 -172.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.17 -38.12 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.438 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.12 -40.77 70.89 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -174.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.15 -48.74 72.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.828 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.44 -39.16 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.48 94.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 109.392 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 631' ' ' TYR . . . . . 0.427 ' O ' HG23 ' A' ' 635' ' ' VAL . 51.9 t80 -63.79 -43.54 96.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.626 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.31 94.22 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.261 -174.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -49.64 69.73 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.087 0.47 . . . . 0.0 110.384 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -55.4 -47.09 76.43 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.197 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 635' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 639' ' ' MET . 67.8 t -56.85 -48.29 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 174.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -55.87 -40.81 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.53 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -59.42 -42.11 97.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.001 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -38.22 89.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.614 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 639' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.7 mmt -63.83 -48.89 74.99 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.349 -175.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -58.63 -39.34 80.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.2 -178.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -66.0 -40.88 91.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.139 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -97.61 -21.75 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.09 -57.49 11.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.88 -22.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.387 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 23.4 m -147.69 152.61 38.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -64.96 -41.97 94.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.604 0.24 . . . . 0.0 111.531 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.88 -46.29 90.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.14 -37.67 88.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.468 . . . . 0.0 110.117 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.45 -47.9 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.664 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 650' ' ' TYR . . . . . 0.882 ' OH ' ' HA ' ' C' ' 138' ' ' LEU . 89.4 t80 -64.29 -41.13 97.02 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 651' ' ' HIS . . . . . 0.441 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 45.0 m170 -57.3 -49.46 76.03 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.821 0.344 . . . . 0.0 111.221 -177.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.04 -48.28 79.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.027 -170.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 653' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 639' ' ' MET . 79.2 mt -66.38 -41.44 89.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.647 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.93 88.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.719 0.295 . . . . 0.0 110.985 -178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 651' ' ' HIS . 9.9 mm-40 -64.21 -39.98 95.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.37 -50.32 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.8 pt -65.18 -37.54 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.452 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -65.2 -48.91 71.73 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.468 -176.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -55.83 -50.01 71.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 660' ' ' ILE . . . . . 1.057 HG23 HG23 ' B' ' 844' ' ' ILE . 10.5 mt -67.96 -49.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.18 -174.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -54.99 -46.44 75.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.267 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -64.41 -40.09 95.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.356 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 663' ' ' GLU . . . . . 0.558 ' OE2' HG22 ' B' ' 844' ' ' ILE . 35.6 tt0 -65.04 -42.03 94.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.931 0.396 . . . . 0.0 110.343 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 96.8 mt -62.13 -39.07 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 665' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.7 tp10 -60.11 -49.24 78.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.295 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 666' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -62.07 -39.42 92.34 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.17 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -58.78 -40.54 84.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.868 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 668' ' ' ARG . . . . . 0.464 ' HD3' ' O ' ' A' ' 668' ' ' ARG . 2.1 tmt_? -75.4 -31.87 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 669' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 67.9 mtp180 . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 844' ' ' ILE . . . . . 1.057 HG23 HG23 ' A' ' 660' ' ' ILE . 14.5 pt . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 845' ' ' LEU . . . . . 0.577 ' HB3' ' HD2' ' B' ' 846' ' ' PRO . 3.8 mp -155.93 -172.26 0.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 846' ' ' PRO . . . . . 0.577 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 26.7 Cg_exo -67.53 -155.42 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 121.74 1.626 . . . . 0.0 111.634 156.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 7.4 t -67.58 -43.16 81.23 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -169.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.3 -55.31 32.89 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -156.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.96 -38.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.159 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -44.9 71.89 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.986 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -55.91 -39.99 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.182 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 852' ' ' PHE . . . . . 0.632 ' CZ ' ' HA ' ' A' ' 625' ' ' MET . 14.8 t80 -65.23 -52.85 51.96 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.181 -0.207 . . . . 0.0 111.475 -176.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 853' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 611' ' ' ILE . 9.5 p -67.3 -39.29 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.373 -177.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.79 -37.17 85.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.221 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.59 -30.89 70.97 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 121.059 0.457 . . . . 0.0 110.302 179.748 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 125' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' C' ' 125' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.093 0.473 . . . . 0.0 110.153 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.78 -39.41 74.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.594 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 127' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 5.5 pt -60.57 -40.17 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.811 -174.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.82 -41.55 82.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.175 0.512 . . . . 0.0 110.447 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 47.1 m -56.86 -27.05 59.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.251 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 130' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' C' ' 132' ' ' PRO . 0.2 OUTLIER -136.72 45.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.436 0.636 . . . . 0.0 109.616 176.055 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 131' ' ' ARG . . . . . 0.629 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.3 OUTLIER -105.51 101.61 32.91 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.82 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' C' ' 130' ' ' ARG . 53.6 Cg_exo . . . . . 0 N--CA 1.473 0.302 0 C-N-CA 123.571 2.848 . . . . 0.0 114.057 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 134' ' ' TYR . . . . . 0.627 ' O ' ' HG ' ' C' ' 138' ' ' LEU . 66.4 t80 . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 135' ' ' ARG . . . . . 0.536 ' HA ' HD12 ' C' ' 138' ' ' LEU . 29.1 tpt180 -60.33 -42.14 95.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.45 174.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.51 -47.25 73.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.82 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 43.3 pt -78.07 -29.49 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.985 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 138' ' ' LEU . . . . . 0.882 ' HA ' ' OH ' ' A' ' 650' ' ' TYR . 87.0 mt -54.74 -50.43 68.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.268 0.556 . . . . 0.0 110.289 173.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.77 -51.57 64.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.564 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.39 -50.65 58.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 141' ' ' LEU . . . . . 0.719 HD11 ' HD3' ' A' ' 606' ' ' LYS . 12.8 tp -65.68 -46.78 77.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.209 -167.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 76.7 p -75.87 -25.74 56.43 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.772 0.32 . . . . 0.0 111.258 -173.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.127 0.489 . . . . 0.0 110.569 179.734 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.519 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.28 108.19 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -114.39 -78.46 0.58 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -147.79 60.76 1.13 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.502 0.668 . . . . 0.0 109.865 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -99.12 3.59 58.43 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.96 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -52.13 -58.14 7.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.157 0.503 . . . . 0.0 110.469 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -79.73 3.04 20.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.083 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -87.68 -32.5 19.18 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.698 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -89.41 -5.65 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 64.0 t -104.65 118.87 52.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.8 p -95.37 160.85 14.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.798 0.332 . . . . 0.0 111.443 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.84 88.88 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ASP . . . . . 0.613 ' OD2' ' HA2' ' C' ' 147' ' ' GLY . 13.7 t70 -55.47 -48.6 74.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.974 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' C' ' 145' ' ' ALA . 60.2 tp -55.42 -47.78 75.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.468 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.0 mtp180 -64.38 -40.03 95.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.755 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.4 m -56.54 -40.75 75.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.417 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.61 ' CD2' ' HB2' ' C' ' 146' ' ' PRO . 55.8 m80 -64.53 -38.56 91.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.078 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 24.5 mt -65.09 -46.92 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.525 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -63.74 -43.55 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -58.89 -47.59 84.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.046 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.669 ' NZ ' HD21 ' C' ' 141' ' ' LEU . 12.9 pttp -64.37 -34.85 79.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 177.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.469 HD11 HD22 ' A' ' 653' ' ' LEU . 0.2 OUTLIER -58.22 -42.83 87.13 Favored 'General case' 0 N--CA 1.461 0.11 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.66 -47.65 87.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -55.26 -37.36 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.21 -38.64 74.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.732 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.429 ' O ' HG21 ' B' ' 853' ' ' VAL . 37.5 mt -91.18 -43.15 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.097 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.15 94.06 37.36 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.15 -41.49 21.9 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.582 2.188 . . . . 0.0 113.115 -175.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -147.41 94.93 4.4 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 121.554 0.693 . . . . 0.0 111.449 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.402 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 1.6 Cg_endo -84.72 142.54 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.997 2.464 . . . . 0.0 111.122 173.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.14 161.5 67.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 119.28 -0.391 . . . . 0.0 110.111 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 620' ' ' LEU . 71.3 Cg_exo -48.11 -34.77 24.45 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.646 2.23 . . . . 0.0 113.958 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.0 -26.95 36.08 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 -177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.6 mt -59.77 -38.41 81.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.61 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 13.36 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.038 0.447 . . . . 0.0 111.213 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -95.66 149.84 21.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.392 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -57.02 -37.83 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.492 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.63 ' HD2' ' CZ ' ' B' ' 852' ' ' PHE . 14.3 ptp180 -59.98 -38.34 82.29 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.561 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.6 tpt -65.52 -44.07 88.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.33 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.35 -40.76 95.46 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.75 -39.16 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.935 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.08 -46.55 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.197 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 625' ' ' MET . 3.9 t -61.82 -36.88 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.259 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.29 89.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.026 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.84 -46.58 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.934 174.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.29 95.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.053 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -64.55 -48.98 73.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -65.13 -46.68 79.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.619 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 639' ' ' MET . 70.9 t -59.33 -40.91 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.454 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.8 -39.98 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.886 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -48.66 71.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.59 -39.0 89.62 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.788 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.575 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -63.0 -50.43 70.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.944 -178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -63.63 -40.94 98.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.948 0.404 . . . . 0.0 110.469 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.808 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 12.4 m -94.51 -22.46 18.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -172.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.69 -63.27 1.19 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 643' ' ' ALA . 9.8 t30 75.24 -21.47 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.803 0.689 . . . . 0.0 111.495 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 1.7 m -144.53 150.54 37.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -65.18 -43.54 91.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 111.353 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.59 -45.14 89.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.48 -37.1 86.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.976 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.5 -50.64 71.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.684 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.7 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 76.1 t80 -66.33 -44.35 83.57 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -57.71 -42.99 84.89 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.228 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.95 -44.4 89.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 110.027 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.521 HD21 ' HG3' ' A' ' 639' ' ' MET . 77.8 mt -66.68 -40.79 88.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.861 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.35 93.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 111.13 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.524 ' OE1' HD21 ' C' ' 128' ' ' LEU . 31.0 tt0 -65.45 -39.92 92.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.212 0.529 . . . . 0.0 110.498 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -64.57 -42.63 95.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.894 -176.035 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.4 pt -64.6 -38.58 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.655 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 55.9 t80 -64.84 -40.21 94.81 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.392 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.351 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.635 HG12 HD11 ' B' ' 845' ' ' LEU . 88.9 mt -65.15 -46.22 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.438 0.637 . . . . 0.0 110.206 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -52.38 -43.48 64.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.405 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.655 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 28.8 mtpp -63.72 -42.28 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.556 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.645 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 53.4 mt -62.56 -41.54 98.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.317 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.17 -44.6 83.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.795 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.33 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.569 ' HB3' ' HG ' ' B' ' 854' ' ' LEU . 38.9 mmtm -64.43 -38.14 89.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.525 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -66.95 -23.32 65.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.906 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -51.51 -43.02 62.14 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.578 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 33.2 t -83.3 -57.8 3.11 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.258 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.525 ' HD2' ' HB3' ' B' ' 854' ' ' LEU . 67.5 mtt180 -64.94 73.49 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 175.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.143 175.465 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 121.353 0.597 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -124.48 39.82 3.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.105 0.479 . . . . 0.0 110.324 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 80.47 76.34 1.02 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.998 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -93.31 12.22 25.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.887 0.375 . . . . 0.0 111.18 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 1.4 mt -123.82 148.86 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.635 HD11 HG12 ' A' ' 660' ' ' ILE . 3.3 mp -92.06 154.85 43.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.584 0.231 . . . . 0.0 110.787 -175.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.17 155.2 66.48 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.397 2.065 . . . . 0.0 110.912 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.1 m -54.81 -42.31 71.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.51 -40.94 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -172.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 849' ' ' ILE . . . . . 0.427 HG12 ' H ' ' B' ' 849' ' ' ILE . 3.6 mm -63.93 -45.36 97.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.438 ' SD ' HD13 ' B' ' 845' ' ' LEU . 13.6 mmt -65.84 -40.32 91.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 851' ' ' ASP . . . . . 0.421 ' HA ' HH22 ' A' ' 671' ' ' ARG . 2.2 m-20 -55.5 -47.84 75.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.737 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.63 ' CZ ' ' HD2' ' A' ' 624' ' ' ARG . 6.2 t80 -65.74 -50.24 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.666 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 611' ' ' ILE . 4.9 p -62.09 -39.92 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.414 -168.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 667' ' ' LYS . 3.6 mm? -64.99 -36.0 82.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.341 175.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.78 -18.73 63.14 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -98.08 134.15 41.56 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 25.5 m -147.31 97.17 4.11 Favored Pre-proline 0 C--N 1.32 -0.687 0 O-C-N 122.282 -0.261 . . . . 0.0 110.483 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 123.066 2.511 . . . . 0.0 112.173 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 CA--C 1.52 -0.206 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.9 m -72.07 -30.34 65.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.421 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.25 -56.6 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.192 0.52 . . . . 0.0 109.902 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 76.3 p -87.38 39.52 0.87 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.783 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 16.9 t70 -60.04 -47.58 85.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.171 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 43.2 t -58.46 -49.59 76.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.552 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -62.02 -48.24 81.16 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 49.9 pttt -60.9 -43.58 98.32 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.385 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.711 ' O ' HG12 ' C' ' 127' ' ' ILE . 23.4 ttm180 -57.25 -46.73 82.75 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.251 175.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -55.75 -41.52 74.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.646 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -57.15 -41.12 78.55 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.732 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.711 HG12 ' O ' ' C' ' 124' ' ' ARG . 3.1 pt -63.42 -40.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.736 -175.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.524 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.2 mm? -56.79 -38.9 73.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.013 0.435 . . . . 0.0 110.716 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 129' ' ' SER . . . . . 0.425 ' HA ' HH21 ' C' ' 135' ' ' ARG . 8.2 t -58.85 -17.31 22.66 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -133.96 45.56 2.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.761 0.791 . . . . 0.0 109.933 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 1.8 mmp_? -111.2 103.96 55.57 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.409 175.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.407 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 51.7 Cg_exo -55.54 -52.28 7.98 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.46 2.774 . . . . 0.0 113.21 -175.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.458 ' CG ' HD12 ' C' ' 128' ' ' LEU . 80.2 t80 -59.33 -47.62 84.73 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.378 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.425 HH21 ' HA ' ' C' ' 129' ' ' SER . 17.6 mmt85 -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.112 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 33.7 mtmm -59.87 -55.0 39.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.245 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 33.8 pt -67.9 -33.59 62.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.075 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.516 HD12 ' HE2' ' A' ' 650' ' ' TYR . 9.1 tp -62.39 -50.13 72.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.67 0.272 . . . . 0.0 110.394 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -66.74 -50.67 62.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.816 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.64 -51.23 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.7 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 48.0 tp -64.96 -42.11 94.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.898 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 81.1 p -76.06 -9.55 58.71 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 122.307 -0.246 . . . . 0.0 111.492 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 t -67.01 -12.15 59.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -162.53 67.38 0.23 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.764 0.316 . . . . 0.0 111.216 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.516 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -60.26 116.91 19.66 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.163 173.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 146' ' ' PRO . . . . . 0.61 ' HB2' ' CD2' ' A' ' 602' ' ' HIS . 12.4 Cg_exo -65.25 140.2 63.47 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.217 1.945 . . . . 0.0 111.002 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.613 ' HA2' ' OD2' ' A' ' 598' ' ' ASP . . . 171.62 83.24 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.84 -1.171 . . . . 0.0 113.708 -173.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 9.5 t -148.41 113.65 3.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 122.721 2.281 . . . . 0.0 111.732 177.521 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 112.211 -0.355 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.51 126.37 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.73 135.04 17.01 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -160.32 87.72 0.78 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -150.14 65.2 0.38 Allowed Glycine 0 N--CA 1.436 -1.335 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.44 ' CD1' ' N ' ' A' ' 591' ' ' TRP . 2.9 m0 -77.17 -25.92 52.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 640' ' ' TYR . 26.1 p80 -64.51 -10.31 24.77 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.844 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -61.32 -12.6 14.41 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.74 0.305 . . . . 0.0 111.726 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -81.93 -11.94 58.65 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.6 133.79 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 51.0 p -100.23 169.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 111.458 -173.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.49 94.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -60.13 -50.29 74.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 41.9 tp -57.38 -44.74 84.7 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 604' ' ' VAL . 0.1 OUTLIER -57.16 -44.74 83.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.228 178.269 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 29.0 m -61.65 -41.97 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.279 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -64.9 -38.83 92.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.152 0.501 . . . . 0.0 110.314 178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.459 HD13 HD11 ' A' ' 653' ' ' LEU . 24.6 mt -66.19 -43.14 87.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.556 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 600' ' ' ARG . 4.6 t -55.67 -39.84 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.875 0.369 . . . . 0.0 110.563 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -56.98 -39.22 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -62.37 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.61 82.03 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.54 -47.55 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.463 173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -54.71 -39.89 68.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.21 0.529 . . . . 0.0 110.688 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.25 83.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.09 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 660' ' ' ILE . 43.5 mt -94.42 -41.57 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 -174.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.95 85.81 45.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.7 -38.26 41.31 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.732 2.288 . . . . 0.0 113.094 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.3 t -143.26 87.25 8.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.908 0.385 . . . . 0.0 111.592 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.06 145.77 19.7 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.395 2.064 . . . . 0.0 111.665 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -69.5 156.15 92.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.746 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.466 ' HA ' HD12 ' A' ' 620' ' ' LEU . 9.2 Cg_endo -50.59 -44.46 40.07 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.233 . . . . 0.0 111.914 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.64 -21.43 55.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.075 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.87 -38.67 64.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 110.674 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.5 mt -59.49 -33.52 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 -177.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -96.31 14.3 24.72 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.84 0.352 . . . . 0.0 111.297 -177.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 10.3 t70 -96.34 143.17 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.515 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 31.4 mmt180 -56.69 -36.19 69.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.568 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' B' ' 852' ' ' PHE . 23.8 mmm180 -60.81 -46.04 92.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 110.505 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 16.4 tpt -65.95 -41.69 90.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.984 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.515 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 52.3 mt-10 -59.58 -40.57 87.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.122 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -59.0 -38.82 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.73 -45.99 90.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.31 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.4 -38.77 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.862 0.363 . . . . 0.0 110.229 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.79 92.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.456 0.646 . . . . 0.0 110.0 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.797 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.188 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -59.47 -50.1 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.525 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 634' ' ' LYS . 0.6 OUTLIER -66.03 -42.07 90.09 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.32 -177.546 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.62 -44.91 97.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 111.147 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -62.1 -40.19 95.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.009 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.68 93.67 Favored Glycine 0 CA--C 1.507 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.437 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.7 -40.03 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.153 0.501 . . . . 0.0 110.194 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.481 ' SD ' HD23 ' A' ' 653' ' ' LEU . 34.8 mtt -66.27 -49.74 66.11 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.248 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 592' ' ' HIS . 33.1 t80 -60.71 -40.86 93.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.162 -172.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.81 -39.36 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.663 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.4 m -94.12 -23.53 17.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.662 -174.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -57.59 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.86 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 591' ' ' TRP . 67.2 t30 57.12 16.94 3.2 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 14.8 m -154.33 149.5 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -64.99 -49.18 71.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.917 0.389 . . . . 0.0 111.004 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.24 -43.07 92.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.32 -39.15 89.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.263 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.04 -47.99 83.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.874 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.54 ' HE2' ' CD1' ' C' ' 138' ' ' LEU . 94.8 t80 -64.44 -40.57 95.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -64.41 -39.64 94.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.36 -38.28 90.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.629 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 657' ' ' ILE . 35.0 mt -55.36 -43.82 75.41 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.312 174.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.427 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -64.1 -39.41 93.99 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.138 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.536 ' OE1' HD21 ' C' ' 128' ' ' LEU . 14.6 tp10 -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.463 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.76 -46.47 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.421 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.4 pt -63.54 -37.64 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.888 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -62.09 -42.2 98.97 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.655 0.264 . . . . 0.0 110.445 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.453 ' HD2' HG12 ' B' ' 844' ' ' ILE . 19.8 ttmm -55.95 -50.6 70.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.966 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.517 ' CG1' HD11 ' B' ' 844' ' ' ILE . 35.5 mt -67.31 -51.76 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.883 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.15 -45.11 79.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.524 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' A' ' 662' ' ' LYS . 0.0 OUTLIER -62.79 -44.71 95.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.533 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.13 -39.87 93.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.21 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.41 ' CD2' ' HG3' ' B' ' 850' ' ' MET . 78.2 mt -61.58 -40.25 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.714 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -64.23 -49.22 72.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.468 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -38.91 92.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.67 -44.69 96.18 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.401 0.28 . . . . 0.0 111.201 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 671' ' ' ARG . 34.8 ttm180 -76.98 -27.28 54.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.175 0.512 . . . . 0.0 110.094 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -64.53 -39.76 94.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.414 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 36.8 t -94.3 3.22 55.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 668' ' ' ARG . 3.0 tmt_? -35.8 102.67 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.331 1.019 . . . . 0.0 112.178 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 34.3 tp . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.59 177.794 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.835 0.35 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -73.79 93.49 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.967 0.413 . . . . 0.0 109.94 175.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 95.03 82.04 1.57 Allowed Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.556 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -69.54 -29.44 67.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.548 -0.326 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 844' ' ' ILE . . . . . 0.517 HD11 ' CG1' ' A' ' 660' ' ' ILE . 1.2 tp -134.74 157.6 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -172.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.575 ' HB2' ' SD ' ' B' ' 850' ' ' MET . 1.1 mp -75.58 137.54 70.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.343 -165.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.56 -178.17 4.09 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.97 2.446 . . . . 0.0 112.735 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.9 m -55.5 -40.67 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.55 -49.52 67.48 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.19 -44.2 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.111 0.482 . . . . 0.0 110.912 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.575 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -62.27 -41.98 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.922 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -58.93 -37.85 77.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.918 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.542 ' HB2' HH21 ' A' ' 624' ' ' ARG . 47.7 t80 -61.7 -50.59 71.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.188 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.72 -39.02 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.42 -37.27 85.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -58.18 -43.79 87.68 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.367 -172.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -100.39 135.31 42.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.17 0.509 . . . . 0.0 110.101 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 19.1 m -131.17 124.38 20.38 Favored Pre-proline 0 C--N 1.318 -0.782 0 O-C-N 122.197 -0.315 . . . . 0.0 110.542 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--O 1.247 0.974 0 C-N-CA 122.585 2.19 . . . . 0.0 112.193 179.373 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 20.9 t -100.59 -34.66 9.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 62.9 t -65.4 -57.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.686 0.279 . . . . 0.0 110.263 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 63.2 p -95.91 46.13 1.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.405 0.622 . . . . 0.0 110.008 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.13 -47.05 84.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.946 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 34.3 t -56.42 -49.27 75.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.297 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -62.04 -47.23 85.64 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.597 0.237 . . . . 0.0 111.041 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -62.53 -48.68 78.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.857 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.67 ' O ' HG12 ' C' ' 127' ' ' ILE . 24.0 ttm180 -56.27 -47.75 77.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -57.24 -42.52 81.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.623 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.14 -39.67 72.64 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.171 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.67 HG12 ' O ' ' C' ' 124' ' ' ARG . 4.0 pt -63.22 -41.7 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.419 -173.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.536 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.9 mm? -59.18 -41.13 87.73 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 88.0 p -56.57 -35.08 67.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.746 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -144.75 68.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.388 0.613 . . . . 0.0 109.9 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.555 ' CZ ' ' HB2' ' C' ' 134' ' ' TYR . 4.8 ttp180 -113.6 120.47 39.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -55.59 -36.52 94.74 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.114 2.542 . . . . 0.0 113.173 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 133' ' ' SEP . . . . . 0.528 ' P ' ' HE ' ' C' ' 131' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' C' ' 131' ' ' ARG . 82.3 t80 -61.26 -41.82 97.57 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.435 ' NH2' HD23 ' C' ' 138' ' ' LEU . 6.2 tpm_? -56.41 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.02 -56.03 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.916 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.2 pt -66.35 -33.89 66.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.133 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.54 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 10.4 tp -60.55 -41.0 93.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.863 0.84 . . . . 0.0 110.432 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.3 -52.82 56.64 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.117 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.67 -49.52 62.37 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.54 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 21.4 tp -60.81 -36.39 78.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.397 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 25.6 p -72.28 -0.02 11.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 39.7 t -49.49 -74.19 0.03 OUTLIER 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -160.35 36.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 8.06 80.07 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.035 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -171.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.92 157.71 57.79 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.747 2.298 . . . . 0.0 111.816 171.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.551 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . 163.21 -155.74 27.22 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 -175.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 0.9 OUTLIER 146.06 -52.43 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.716 0 O-C-N 125.435 1.315 . . . . 0.0 109.271 176.104 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo . . . . . 0 C--O 1.248 0.989 0 C-N-CA 122.04 1.826 . . . . 0.0 110.636 170.254 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.522 0 N-CA-C 112.261 -0.336 . . . . 0.0 112.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 6.5 m -65.51 102.47 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.489 0.661 . . . . 0.0 111.151 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -178.99 -69.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.251 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -163.49 62.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.0 109.583 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -91.46 9.98 75.9 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.931 -176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.414 ' HB3' ' O ' ' A' ' 644' ' ' ASN . 6.4 m95 -54.3 -54.69 36.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.049 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -66.72 -9.58 37.89 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -84.99 -25.32 27.8 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.861 -172.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -83.61 -10.41 58.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.752 0.311 . . . . 0.0 110.591 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 599' ' ' LEU . 84.9 t -116.24 111.93 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.516 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 32.1 p -96.26 166.46 11.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.959 -172.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -57.3 -40.02 76.97 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.35 -46.85 88.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 595' ' ' VAL . 28.6 tp -57.73 -43.61 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 596' ' ' THR . 45.8 mtt180 -65.48 -49.11 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.338 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 27.7 m -57.51 -38.69 75.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.144 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.456 ' CE1' HG23 ' C' ' 148' ' ' VAL . 9.0 m170 -61.84 -43.54 98.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.189 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.485 HD23 ' HD3' ' A' ' 606' ' ' LYS . 16.8 mt -65.78 -40.54 92.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.991 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.5 -41.72 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 176.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -62.66 -40.88 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.095 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.485 ' HD3' HD23 ' A' ' 603' ' ' LEU . 28.1 mtpp -63.84 -38.68 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.996 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -42.76 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.67 -49.23 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.225 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -56.92 -36.89 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.128 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.26 -39.02 74.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.885 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 21.9 mt -92.44 -38.36 10.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.92 86.58 42.83 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.21 -37.74 89.84 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.79 2.327 . . . . 0.0 113.872 -171.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.6 t -161.81 94.32 1.32 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 121.293 0.568 . . . . 0.0 111.852 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -84.14 164.67 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.892 2.394 . . . . 0.0 112.31 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.2 155.15 54.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.429 ' HA ' HD12 ' A' ' 620' ' ' LEU . 5.3 Cg_endo -47.39 -43.81 26.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.21 2.607 . . . . 0.0 113.491 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.17 -30.97 71.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.475 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.03 64.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 617' ' ' PRO . 1.9 mt -61.77 -31.5 71.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.653 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -91.66 6.11 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.928 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.67 151.56 19.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 111.364 -172.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -39.63 94.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.611 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -64.18 -42.54 96.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.042 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -66.08 -39.77 90.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.186 0.517 . . . . 0.0 110.177 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.68 -40.51 72.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.665 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -60.08 -36.34 77.16 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.715 0.293 . . . . 0.0 110.767 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.09 -43.23 99.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.72 -37.38 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.139 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.307 0.575 . . . . 0.0 109.601 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -61.35 -43.48 98.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.144 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.06 0.457 . . . . 0.0 110.329 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.57 -46.84 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.181 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -64.04 -44.48 92.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.811 0.339 . . . . 0.0 110.989 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 639' ' ' MET . 69.0 t -59.16 -41.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.81 -39.02 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.12 92.67 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.877 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.73 -38.3 88.79 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.965 0.412 . . . . 0.0 110.89 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.6 ' HG3' HD21 ' A' ' 653' ' ' LEU . 22.9 mmt -64.34 -51.68 62.16 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.039 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.61 -38.46 87.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.846 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.73 -39.36 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.958 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.3 p -95.38 -27.96 15.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.96 -67.85 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 591' ' ' TRP . 9.3 t30 71.92 -9.25 1.0 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.038 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 26.6 m -153.45 154.33 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.632 -0.667 . . . . 0.0 109.643 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.5 -45.84 88.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.623 0.249 . . . . 0.0 110.948 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -64.14 -40.23 95.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.058 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -64.3 -40.31 95.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.435 . . . . 0.0 110.798 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.333 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.673 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 56.4 t80 -64.9 -40.94 95.87 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.048 0.452 . . . . 0.0 110.557 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.411 ' O ' ' HG3' ' A' ' 655' ' ' GLU . 79.8 t60 -62.0 -42.85 99.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.761 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.31 -46.13 84.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 110.735 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.6 HD21 ' HG3' ' A' ' 639' ' ' MET . 75.6 mt -66.05 -39.68 90.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.578 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.94 74.03 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.923 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 651' ' ' HIS . 38.5 mt-10 -65.69 -42.5 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.932 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.409 ' HE2' HG11 ' A' ' 635' ' ' VAL . 59.9 tttp -66.36 -46.83 75.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.5 pt -63.75 -37.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.637 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -63.85 -40.82 97.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.536 ' HD3' HG12 ' B' ' 844' ' ' ILE . 20.9 ttmm -56.09 -50.97 69.54 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.113 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 44.2 mt -65.72 -49.58 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.292 0.567 . . . . 0.0 110.401 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -53.93 -48.95 69.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.054 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -64.53 -43.96 92.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.97 -48.2 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.952 -177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.67 -40.58 92.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.8 -48.69 68.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.727 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -38.52 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.885 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.89 -40.03 72.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -76.78 -33.07 58.07 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -66.35 -52.65 44.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.453 -176.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.2 p -96.17 -6.47 38.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 111.446 -175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 70.77 123.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.582 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.012 176.819 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -92.63 53.67 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.502 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 93.36 105.44 1.74 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.048 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -91.7 15.41 12.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.844 0.354 . . . . 0.0 110.461 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 844' ' ' ILE . . . . . 0.536 HG12 ' HD3' ' A' ' 659' ' ' LYS . 1.1 mt -98.8 152.32 4.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.74 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.66 148.45 35.43 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.494 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.48 159.02 29.16 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.817 2.344 . . . . 0.0 112.239 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.8 t -55.25 -47.11 75.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.208 0.317 . . . . 0.0 111.056 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.82 -45.6 74.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.905 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.34 -46.03 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.379 0.609 . . . . 0.0 109.914 -178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.441 ' O ' HD23 ' B' ' 854' ' ' LEU . 6.3 mmt -65.82 -40.09 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.312 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.56 -38.01 83.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.2 -49.49 75.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.406 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 850' ' ' MET . 11.4 p -65.17 -39.0 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.834 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.441 HD23 ' O ' ' B' ' 850' ' ' MET . 3.3 mm? -55.83 -37.16 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.681 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 855' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' B' ' 855' ' ' LYS . 6.0 mmtp -98.44 19.31 14.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.24 128.19 44.24 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 25.2 m -148.79 115.29 3.77 Favored Pre-proline 0 C--N 1.319 -0.742 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.076 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.662 2.241 . . . . 0.0 111.269 174.551 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.1 m -80.4 -26.91 38.24 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.697 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.58 -52.62 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.095 0.474 . . . . 0.0 109.848 173.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 76.4 p -83.21 35.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.116 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 24.1 t70 -61.36 -46.97 87.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.686 0.279 . . . . 0.0 110.527 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 7.7 t -59.68 -49.03 79.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.723 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -58.95 -47.84 83.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.5 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 9.5 ptmm? -63.74 -42.97 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.235 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.628 ' O ' HG12 ' C' ' 127' ' ' ILE . 5.5 tmm_? -57.35 -42.13 81.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.351 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -62.36 -42.75 99.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.099 0.475 . . . . 0.0 110.792 177.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -55.13 -38.65 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.816 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.628 HG12 ' O ' ' C' ' 124' ' ' ARG . 4.5 pt -57.14 -38.79 62.88 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 121.201 -0.2 . . . . 0.0 110.737 -175.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.48 HD22 HG12 ' C' ' 127' ' ' ILE . 2.3 mm? -62.2 -41.27 98.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 -177.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 50.6 m -57.81 -23.89 54.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.819 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.08 55.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.239 0.543 . . . . 0.0 109.913 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' C' ' 134' ' ' TYR . 7.2 tpt180 -113.6 113.15 48.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.639 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 35.3 Cg_exo -57.89 -59.3 0.57 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.583 2.856 . . . . 0.0 114.04 -174.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 19.4 t80 -59.34 -47.57 84.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 178.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -63.62 -41.78 98.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.756 0.312 . . . . 0.0 110.736 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.76 -44.05 81.37 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.298 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 37.4 pt -76.72 -36.37 26.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.588 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.568 HD12 ' HE2' ' A' ' 650' ' ' TYR . 12.0 tp -56.06 -48.62 75.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.605 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -65.18 -50.75 64.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.26 -44.74 82.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.401 0.619 . . . . 0.0 112.289 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.673 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 18.1 tp -62.25 -39.24 92.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.554 -172.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 4.9 p -71.55 -1.02 12.0 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 143' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' C' ' 144' ' ' ASP . 45.5 m -61.98 -28.4 69.53 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -171.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 144' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' C' ' 143' ' ' SER . 27.5 t70 171.01 78.77 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.949 0.795 . . . . 0.0 111.12 -171.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -33.81 93.42 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.67 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 146' ' ' PRO . . . . . 0.426 ' HD2' ' HD2' ' A' ' 606' ' ' LYS . 6.4 Cg_exo -72.9 129.67 14.63 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.826 3.017 . . . . 0.0 113.272 176.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.623 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -163.06 -117.16 0.41 Allowed Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.071 -1.061 . . . . 0.0 112.08 167.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.623 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 5.5 t 84.37 105.89 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.554 0 C-N-CA 123.583 0.753 . . . . 0.0 110.697 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.247 0.959 0 C-N-CA 122.795 2.33 . . . . 0.0 112.176 179.475 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.75 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.91 82.98 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 122.135 0.969 . . . . 0.0 109.732 172.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -79.56 118.59 21.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.703 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.681 ' NZ ' ' HA ' ' A' ' 641' ' ' GLU . 38.1 ttmt -154.1 80.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.225 -177.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.65 -4.93 89.89 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.228 -174.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -58.01 -18.65 25.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.689 0.281 . . . . 0.0 111.21 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -67.94 -13.95 62.58 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.694 0.283 . . . . 0.0 111.31 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.03 -36.52 82.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -90.78 -17.18 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.897 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.7 t -94.0 122.18 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 38.0 p -105.56 170.4 7.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.46 -40.51 78.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 0.0 110.27 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.82 -50.02 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' C' ' 147' ' ' GLY . 45.6 tp -62.99 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.633 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 604' ' ' VAL . 58.2 ttt180 -64.47 -50.2 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 57.3 m -59.12 -38.38 79.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.342 . . . . 0.0 111.245 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.09 -46.33 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.583 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.9 t -62.14 -40.67 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-O 121.153 0.501 . . . . 0.0 110.139 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -58.62 -40.6 83.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.422 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -60.82 -37.87 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.174 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 656' ' ' LYS . 0.4 OUTLIER -57.65 -46.13 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.271 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.43 -41.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -54.01 -37.81 64.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.246 0.546 . . . . 0.0 110.633 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.35 69.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.406 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.52 ' O ' HG21 ' B' ' 853' ' ' VAL . 49.4 mt -98.56 -44.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.979 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.85 88.0 47.4 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.79 -33.53 64.79 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 122.891 2.394 . . . . 0.0 113.512 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.7 t -156.82 95.32 2.22 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.337 0.589 . . . . 0.0 111.483 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.95 155.92 20.2 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.075 2.517 . . . . 0.0 111.742 174.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.529 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.5 p-10 -92.54 163.25 27.06 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 1.0 OUTLIER -43.15 -41.47 9.6 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.368 2.712 . . . . 0.0 114.001 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.13 65.31 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.859 -0.526 . . . . 0.0 111.719 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.58 -42.91 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 110.472 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.7 mt -57.24 -39.98 76.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.825 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 617' ' ' PRO . 13.7 pttm -94.01 15.51 16.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.914 0.388 . . . . 0.0 111.489 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.67 143.63 27.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.923 0.392 . . . . 0.0 110.263 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.83 -37.41 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.621 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -61.07 -39.87 91.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.407 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.2 tpt -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.936 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -59.5 -40.93 88.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -62.98 -38.61 91.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.969 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.89 -49.64 75.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 625' ' ' MET . 2.9 t -60.09 -36.96 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -64.24 -40.56 96.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.645 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.84 94.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 0.0 109.829 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 636' ' ' GLU . 12.6 tmtt? -62.27 -49.58 75.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.261 -177.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -64.19 -39.55 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.165 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.0 t -58.35 -40.32 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-O 120.772 0.32 . . . . 0.0 110.464 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 9.3 tt0 -54.5 -43.3 71.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.92 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.28 -49.73 55.33 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.783 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -38.95 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.05 0.452 . . . . 0.0 110.565 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 24.2 ttp -64.09 -47.42 80.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.761 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.29 -40.6 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.053 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.681 ' HA ' ' NZ ' ' A' ' 589' ' ' LYS . 30.9 mm-40 -68.22 -46.02 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.111 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.3 m -83.88 -30.21 26.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -169.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.15 -71.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.4 t30 54.62 19.46 2.46 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 36.9 m -159.78 158.34 30.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -66.2 -51.26 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.949 0.404 . . . . 0.0 111.302 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.051 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.28 -38.41 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.038 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.11 -50.69 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.44 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.824 ' HE2' HD12 ' C' ' 138' ' ' LEU . 52.5 t80 -67.94 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.096 0.474 . . . . 0.0 110.724 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -56.01 -41.86 75.56 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.484 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.45 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.124 -176.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.477 ' O ' HG12 ' A' ' 657' ' ' ILE . 72.9 mt -63.92 -41.66 97.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.42 80.9 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.129 0.49 . . . . 0.0 110.484 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 31.8 tt0 -62.32 -49.78 74.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.66 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 660' ' ' ILE . 2.7 tpmt? -65.7 -47.73 74.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.625 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 653' ' ' LEU . 44.1 pt -64.32 -37.57 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.844 -175.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.18 -49.19 70.76 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.463 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 0.3 OUTLIER -64.29 -36.92 85.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.586 HG12 HD11 ' B' ' 844' ' ' ILE . 67.7 mt -62.41 -51.52 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.476 0.655 . . . . 0.0 109.308 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.582 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 47.9 tt0 -57.01 -45.67 82.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.86 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -61.64 -41.01 96.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.643 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -62.79 -43.72 98.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.003 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.29 -40.38 81.78 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.005 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 49.3 mt-10 -63.83 -50.32 69.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.875 0.369 . . . . 0.0 110.635 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -40.03 94.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.03 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -63.06 -40.59 98.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 110.649 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -72.57 -36.43 68.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.493 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -74.67 -26.27 59.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.128 -174.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 6.0 p -89.21 -0.07 57.16 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -31.65 111.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.42 1.075 . . . . 0.0 112.928 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 672' ' ' LEU . 2.5 pt? . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.013 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.788 0.328 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -133.92 14.01 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.299 0.571 . . . . 0.0 109.804 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 87.99 166.75 42.71 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.918 -176.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -84.23 52.47 2.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.174 0.511 . . . . 0.0 110.239 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 844' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 660' ' ' ILE . 5.1 tp -139.06 156.15 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.825 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.12 134.84 73.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 0.0 111.051 -163.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.93 -174.85 2.41 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.956 2.437 . . . . 0.0 112.897 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.1 m -56.39 -39.95 73.82 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -53.1 -51.74 60.89 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.96 -46.8 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 111.342 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.42 ' O ' HD23 ' B' ' 854' ' ' LEU . 29.5 mmt -64.18 -41.3 97.16 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -174.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.04 -38.04 89.61 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.15 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.1 -49.68 76.1 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.067 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 611' ' ' ILE . 8.0 p -65.61 -38.52 82.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.245 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.42 HD23 ' O ' ' B' ' 850' ' ' MET . 3.4 mm? -62.12 -37.83 86.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.745 0.307 . . . . 0.0 110.68 175.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -70.71 -38.1 73.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.136 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -92.42 127.12 37.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 34.8 m -144.33 127.43 8.66 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.355 -176.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 122.886 2.391 . . . . 0.0 111.624 175.28 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.223 -0.301 0 CA-C-O 120.583 0.23 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.4 m -61.38 -27.66 68.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.009 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.5 -65.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.923 0.392 . . . . 0.0 110.946 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 81.8 p -97.01 45.23 1.04 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.154 0.502 . . . . 0.0 110.628 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.12 -47.7 82.48 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.587 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 32.7 t -61.45 -52.19 65.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.235 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -48.94 79.59 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 176.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.557 ' O ' HG23 ' C' ' 127' ' ' ILE . 22.6 mtpp -63.13 -48.05 80.16 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' C' ' 124' ' ' ARG . 0.0 OUTLIER -53.5 -48.33 69.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -64.33 -43.88 93.26 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.229 0.538 . . . . 0.0 110.356 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -55.82 -44.58 78.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.75 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -62.95 -40.63 89.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.504 -175.673 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' C' ' 134' ' ' TYR . 2.0 mm? -65.21 -44.71 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.12 0.486 . . . . 0.0 110.053 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.8 m -58.05 -36.09 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.253 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -116.39 48.16 1.31 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.606 0.717 . . . . 0.0 109.878 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.584 ' HB3' ' CB ' ' C' ' 134' ' ' TYR . 8.3 tpt180 -113.95 106.01 53.84 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.659 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 18.1 Cg_endo -58.88 -27.27 83.84 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.297 1.998 . . . . 0.0 112.166 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 133' ' ' SEP . . . . . 0.568 ' O1P' ' HG3' ' C' ' 131' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.584 ' CB ' ' HB3' ' C' ' 131' ' ' ARG . 57.8 t80 -60.05 -44.56 94.61 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.274 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -58.11 -42.13 85.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.224 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 63.3 mttp -63.48 -55.88 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.198 0.523 . . . . 0.0 111.078 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.1 pt -70.43 -21.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.593 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.824 HD12 ' HE2' ' A' ' 650' ' ' TYR . 15.0 tp -62.15 -41.91 98.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 177.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -66.97 -48.91 67.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.187 169.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.5 -49.81 69.85 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.507 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 28.6 tp -60.54 -41.33 94.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -171.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 650' ' ' TYR . 2.6 p -70.89 -35.24 72.23 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.881 -172.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 37.7 m 39.37 31.75 0.07 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 123.55 0.531 . . . . 0.0 111.936 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 33.8 t70 64.04 68.68 0.56 Allowed 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -174.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.41 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -43.07 98.64 0.19 Allowed Pre-proline 0 N--CA 1.48 1.047 0 O-C-N 124.352 1.032 . . . . 0.0 112.757 -170.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.08 127.05 13.81 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.52 2.147 . . . . 0.0 112.362 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 599' ' ' LEU . . . 150.93 81.55 0.03 OUTLIER Glycine 0 C--O 1.228 -0.228 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.563 167.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.447 ' HA ' ' HD3' ' C' ' 149' ' ' PRO . 11.6 t -159.83 130.76 3.76 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 149' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' C' ' 148' ' ' VAL . 7.2 Cg_exo . . . . . 0 C--O 1.245 0.871 0 C-N-CA 122.483 2.122 . . . . 0.0 111.652 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 CA-C-O 120.068 -0.296 . . . . 0.0 113.505 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.49 87.13 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 CA-C-N 117.426 0.613 . . . . 0.0 110.857 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -135.62 85.17 2.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.845 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -151.45 60.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.462 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -106.91 7.8 38.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.754 . . . . 0.0 113.095 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -15.17 61.76 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.472 -0.428 . . . . 0.0 111.936 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -80.91 1.43 30.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.091 0.472 . . . . 0.0 110.731 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -87.77 -13.28 42.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.923 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -86.06 0.06 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.011 0.434 . . . . 0.0 110.12 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.8 t -97.21 120.54 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.709 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.0 p -101.2 172.17 7.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -60.19 -38.41 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.14 -48.57 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.369 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.28 -40.65 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 604' ' ' VAL . 70.8 mtp180 -63.96 -49.2 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.512 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 16.2 m -55.64 -41.57 73.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.649 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' C' ' 146' ' ' PRO . 32.3 m80 -65.35 -40.36 93.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.889 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.13 -49.89 68.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.3 t -65.16 -43.68 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.867 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -60.0 -48.7 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.284 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -63.1 -35.26 79.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.01 -44.5 82.86 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.97 -48.17 87.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.272 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -55.19 -35.92 65.36 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.955 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -54.69 -38.02 66.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.548 HD11 HD13 ' B' ' 845' ' ' LEU . 40.9 mt -94.34 -39.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.543 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -117.83 89.77 34.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.94 -39.69 58.98 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.541 2.161 . . . . 0.0 112.552 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -150.62 80.25 6.93 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.94 145.55 50.65 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.229 1.952 . . . . 0.0 111.346 177.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.425 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.3 p30 -83.19 155.35 66.94 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 620' ' ' LEU . 5.0 Cg_endo -46.2 -43.82 20.51 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.235 2.623 . . . . 0.0 113.309 -176.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' ALA . . . . . 0.591 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.64 -17.39 51.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 111.66 -175.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.89 -36.65 67.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.575 0.702 . . . . 0.0 110.116 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.4 mt -67.36 -19.73 65.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.864 -176.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 2.6 pptp? -97.51 7.58 46.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -97.11 144.94 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -64.55 -38.99 92.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.339 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 624' ' ' ARG . 0.4 OUTLIER -56.52 -49.96 73.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.099 0.476 . . . . 0.0 110.344 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.48 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.2 tmt? -66.87 -40.76 87.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.23 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -39.37 70.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.757 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -55.68 -37.98 69.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 625' ' ' MET . 24.5 tp -59.71 -43.18 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.67 0.272 . . . . 0.0 110.385 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.14 -38.23 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.27 -42.91 92.75 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.141 0.496 . . . . 0.0 109.893 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -64.56 -40.78 96.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.903 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.54 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 5.5 tmmm? -65.14 -41.21 94.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.355 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 2.8 mmmp? -63.86 -44.06 94.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.394 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.442 HG13 ' HE2' ' A' ' 656' ' ' LYS . 34.2 t -55.78 -46.9 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 174.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.464 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 17.9 tt0 -55.88 -41.28 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.43 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.47 57.87 Favored Glycine 0 C--N 1.328 0.121 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.906 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.0 -37.9 89.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.675 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.455 ' HE2' ' HB3' ' A' ' 639' ' ' MET . 39.3 ttp -62.37 -46.58 88.02 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.978 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.504 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 6.6 m-85 -56.39 -35.4 67.69 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.64 -43.6 84.22 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.308 0.575 . . . . 0.0 110.877 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -90.2 -51.13 5.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.3 -171.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -51.08 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.094 0.557 . . . . 0.0 111.942 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 69.09 -17.55 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.3 m -133.75 158.31 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.931 -0.48 . . . . 0.0 110.001 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -66.21 -49.28 67.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.15 -45.33 88.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.184 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.33 -35.78 65.54 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.683 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -54.48 -52.16 62.77 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.462 0.574 . . . . 0.0 110.047 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.835 ' HE1' HD12 ' C' ' 138' ' ' LEU . 55.7 t80 -66.02 -44.32 85.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -58.14 -47.01 84.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.213 -175.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.77 -38.96 90.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.023 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.98 -44.57 88.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.047 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.413 ' HB1' ' CE1' ' C' ' 134' ' ' TYR . . . -64.11 -40.82 97.03 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.181 0.515 . . . . 0.0 110.561 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.508 ' OE1' HD21 ' C' ' 128' ' ' LEU . 10.8 tp10 -62.61 -46.51 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.097 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.442 ' HE2' HG13 ' A' ' 635' ' ' VAL . 2.9 ttmp? -65.67 -50.42 65.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.596 -175.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.6 pt -63.02 -37.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.76 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -65.21 -47.23 77.61 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.123 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -64.23 -40.58 96.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 111.352 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.969 HD13 HD12 ' B' ' 845' ' ' LEU . 18.6 mt -69.4 -48.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.292 0.568 . . . . 0.0 110.279 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -55.96 -40.62 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 662' ' ' LYS . 9.2 tmtt? -58.55 -40.59 83.45 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.79 -40.85 96.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.467 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.95 -41.77 98.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.038 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.67 -45.18 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.209 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -39.63 88.12 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -64.56 -40.75 96.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.261 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -77.4 -48.34 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.354 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -70.52 -26.93 63.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.901 -171.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.8 t -92.11 8.61 37.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.799 0.333 . . . . 0.0 110.832 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 64.43 80.99 0.22 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.384 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 672' ' ' LEU . 1.8 pt? . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.398 172.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.515 -0.38 0 CA-C-O 121.04 0.448 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.08 127.58 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.522 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . -89.06 -107.11 1.1 Allowed Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.816 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 656' ' ' LYS . 1.0 OUTLIER -90.44 9.1 30.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -175.245 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 21.4 mt -130.21 128.21 64.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.969 HD12 HD13 ' A' ' 660' ' ' ILE . 2.4 mt -78.33 138.76 59.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 111.098 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -78.46 173.22 14.07 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.87 2.38 . . . . 0.0 113.144 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 8.6 p -55.32 -43.27 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.11 -48.91 70.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.45 -39.65 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.082 0.467 . . . . 0.0 110.214 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 26.0 mmt -64.34 -43.45 94.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.99 -40.04 83.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.41 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.28 -49.96 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.239 0.337 . . . . 0.0 111.688 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 611' ' ' ILE . 12.3 p -65.42 -39.55 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.591 -177.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.84 -38.6 91.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 110.843 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -77.22 -41.14 42.44 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.67 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -92.35 128.88 38.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.511 . . . . 0.0 110.937 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 28.4 m -105.66 119.76 51.52 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.254 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 C--O 1.251 1.147 0 C-N-CA 122.318 2.012 . . . . 0.0 111.842 178.706 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.228 -0.064 0 CA-C-O 120.541 0.21 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.7 m -82.36 -28.82 31.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.241 0.543 . . . . 0.0 110.235 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -73.0 -56.74 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.343 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 74.3 p -94.62 33.76 1.4 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.992 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.52 -46.32 88.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.069 0.461 . . . . 0.0 110.297 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 19.6 t -60.2 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.011 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.34 -43.86 96.05 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.477 0.18 . . . . 0.0 110.788 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.5 ' O ' HG23 ' C' ' 127' ' ' ILE . 35.6 mtpt -58.37 -48.57 80.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.998 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.69 ' O ' HG12 ' C' ' 127' ' ' ILE . 2.3 ttp-105 -56.72 -42.62 79.51 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.24 178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -59.3 -46.37 88.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.205 0.526 . . . . 0.0 110.262 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.99 -39.79 75.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.908 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.69 HG12 ' O ' ' C' ' 124' ' ' ARG . 7.6 pt -57.13 -39.12 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 117.6 0.182 . . . . 0.0 111.249 -170.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.508 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.8 mm? -55.29 -39.32 69.74 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.467 0.48 . . . . 0.0 110.702 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -56.0 -33.69 65.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.265 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -138.77 60.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.489 0.661 . . . . 0.0 109.558 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.642 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.7 103.72 55.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.481 -176.419 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -42.93 -66.02 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.866 3.044 . . . . 0.0 114.379 -172.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 133' ' ' SEP . . . . . 0.473 ' HA ' ' HD3' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.588 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 75.8 t80 -62.03 -43.51 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.434 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' C' ' 135' ' ' ARG . 39.5 ttp180 -60.85 -44.48 96.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.584 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' C' ' 133' ' ' SEP . 50.9 mtpt -56.24 -53.76 53.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.432 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.73 -32.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.835 HD12 ' HE1' ' A' ' 650' ' ' TYR . 8.6 tp -57.95 -46.03 85.71 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 110.689 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.39 -51.65 62.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.803 0.335 . . . . 0.0 111.878 176.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.71 -49.54 65.72 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.607 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 20.0 tp -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.265 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 75.1 p -77.16 -2.58 35.1 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 10.1 t -74.41 -1.71 22.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.43 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 144' ' ' ASP . . . . . 0.671 ' O ' ' HD3' ' C' ' 146' ' ' PRO . 39.0 t70 -171.75 80.94 0.07 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 120.922 0.391 . . . . 0.0 111.795 -176.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -92.94 91.13 0.48 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 162.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 146' ' ' PRO . . . . . 0.671 ' HD3' ' O ' ' C' ' 144' ' ' ASP . 21.5 Cg_exo -65.4 155.71 67.24 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.106 2.537 . . . . 0.0 112.297 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 159.52 87.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.432 -0.89 . . . . 0.0 113.193 -170.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 t -153.41 129.24 5.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 C--O 1.249 1.063 0 C-N-CA 122.136 1.891 . . . . 0.0 111.768 178.048 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.759 -1.337 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 17.6 m -104.84 132.42 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 169.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.29 -2.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.173 0.511 . . . . 0.0 110.753 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.707 ' HG3' ' ND2' ' A' ' 644' ' ' ASN . 21.1 ptmt -156.31 108.07 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -128.65 52.49 0.83 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 119.941 -1.123 . . . . 0.0 113.389 -167.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.468 ' HB2' ' O ' ' A' ' 644' ' ' ASN . 57.9 m95 -79.33 -29.57 42.35 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.642 ' HB3' ' HA ' ' A' ' 644' ' ' ASN . 56.7 p-80 -63.39 -15.95 59.07 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.301 176.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -64.04 -19.6 65.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.385 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -84.65 -13.88 50.22 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.838 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.428 HG13 HD23 ' A' ' 599' ' ' LEU . 24.8 t -80.07 134.89 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.7 p -99.26 163.05 12.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.703 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.55 -39.37 76.52 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.1 -46.04 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.459 HD11 ' HB1' ' C' ' 145' ' ' ALA . 46.9 tp -56.24 -43.55 78.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.43 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 604' ' ' VAL . 10.1 mtm180 -63.11 -46.22 88.33 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.6 t -55.53 -39.37 70.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.903 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -62.56 -44.53 96.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 0.0 109.986 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.447 HD13 HD12 ' A' ' 653' ' ' LEU . 20.4 mt -66.95 -40.72 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.627 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-O 121.165 0.507 . . . . 0.0 109.896 176.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -59.74 -42.0 92.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.655 ' HD3' HD11 ' C' ' 141' ' ' LEU . 98.3 mttt -59.64 -38.21 80.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.086 175.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -43.09 99.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 109.927 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.33 -47.93 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.986 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -54.51 -36.02 63.77 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.881 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.16 68.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.057 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.507 HD11 HD13 ' B' ' 845' ' ' LEU . 37.6 mt -94.39 -41.62 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.437 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.09 94.36 48.58 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.33 -40.82 13.74 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.421 2.081 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -149.5 98.66 3.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.421 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 2.5 Cg_endo -81.99 139.89 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.768 2.312 . . . . 0.0 111.948 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.485 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.1 p-10 -81.91 158.68 67.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.964 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.1 Cg_endo -45.65 -41.54 19.04 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.431 2.754 . . . . 0.0 113.866 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 618' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 621' ' ' LYS . . . -78.74 -23.7 45.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 -175.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.15 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.572 0.701 . . . . 0.0 110.237 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 615' ' ' PRO . 3.9 mt -67.23 -26.51 66.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.993 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 618' ' ' ALA . 19.9 pttp -93.84 5.83 50.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.476 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 10.5 t0 -94.88 145.88 24.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.92 -38.19 84.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.198 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.476 ' HG2' ' CG ' ' A' ' 622' ' ' ASP . 12.8 ptt180 -55.58 -40.44 72.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.281 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 629' ' ' VAL . 15.7 tpt -65.95 -41.91 90.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.611 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.24 -41.38 88.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.985 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -56.98 -40.87 77.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.468 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.81 -46.56 84.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.642 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 625' ' ' MET . 2.5 t -64.18 -38.38 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 120.847 0.356 . . . . 0.0 110.236 177.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.15 96.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.908 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.61 97.6 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.039 0.447 . . . . 0.0 109.899 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.55 -44.91 89.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.757 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -60.99 -48.84 79.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.48 ' O ' ' HG2' ' A' ' 639' ' ' MET . 75.9 t -57.81 -39.76 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.504 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -54.46 -40.7 68.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.897 0.379 . . . . 0.0 110.031 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -42.78 96.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.5 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.72 -40.25 95.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.433 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.0 mmt -66.11 -47.53 73.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.538 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.78 -43.33 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.253 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.65 -47.86 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.65 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 22.4 t -88.06 -30.23 20.07 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -168.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.25 3.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.228 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.707 ' ND2' ' HG3' ' A' ' 589' ' ' LYS . 5.1 t-20 57.0 9.37 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.703 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 4.4 m -144.61 149.58 35.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -65.3 -49.97 67.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.885 0.374 . . . . 0.0 110.355 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.24 -42.69 93.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.09 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.669 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.02 -43.99 91.64 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.672 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.852 ' CE1' HD12 ' C' ' 138' ' ' LEU . 58.1 t80 -65.07 -41.48 95.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.365 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -59.61 -49.31 78.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.849 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.43 -43.29 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' A' ' 639' ' ' MET . 85.8 mt -66.57 -41.88 87.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.388 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.72 93.45 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.057 0.456 . . . . 0.0 110.211 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.753 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 33.8 tt0 -64.34 -43.64 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.877 177.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' B' ' 843' ' ' ASN . 57.8 tttp -65.59 -50.7 64.13 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.467 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.6 pt -64.87 -37.97 81.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.563 -176.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.555 ' O ' ' HG2' ' A' ' 662' ' ' LYS . 54.2 t80 -64.31 -50.63 67.09 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.656 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -56.18 -49.19 74.72 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.397 0.436 . . . . 0.0 111.607 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.73 HG21 HD12 ' B' ' 845' ' ' LEU . 29.4 mt -68.3 -46.48 80.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 -173.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 6.3 tp-100 -55.68 -43.7 76.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.029 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 658' ' ' TYR . 32.5 mmmt -61.94 -38.93 90.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.617 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.22 -42.97 99.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.188 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.66 -39.47 88.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.476 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 669' ' ' ARG . 81.7 mt-10 -61.65 -50.97 70.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.276 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -39.27 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -58.31 -45.48 87.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -73.67 -29.51 62.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.389 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 665' ' ' GLU . 69.4 mtt180 -76.16 -18.72 58.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.567 178.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 15.9 m -95.01 7.93 44.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -39.12 142.44 0.23 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.236 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 672' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.475 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -90.65 77.13 6.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.296 0.569 . . . . 0.0 111.155 -176.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 101.6 86.33 1.92 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.431 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 656' ' ' LYS . 21.5 m120 -87.44 -56.9 3.16 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -177.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 844' ' ' ILE . . . . . 0.498 HG23 HG12 ' A' ' 660' ' ' ILE . 4.4 mt -102.27 148.59 7.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -174.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.73 HD12 HG21 ' A' ' 660' ' ' ILE . 4.1 mt -77.37 131.37 72.02 Favored Pre-proline 0 N--CA 1.453 -0.284 0 CA-C-O 120.734 0.302 . . . . 0.0 110.417 177.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.84 162.67 38.86 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.686 2.257 . . . . 0.0 112.963 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -54.57 -39.99 68.31 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 848' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -54.96 -44.19 74.13 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.26 -40.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.108 0.48 . . . . 0.0 110.173 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -40.04 79.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.505 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 851' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 8.8 m-20 -53.7 -38.37 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.846 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -60.17 -52.35 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.291 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.88 -38.89 76.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.732 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.607 0.241 . . . . 0.0 110.492 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -74.33 -46.87 38.07 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -123.09 127.05 48.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.343 0.592 . . . . 0.0 111.389 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 18.8 m -129.84 84.49 60.8 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.208 -0.905 . . . . 0.0 108.92 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.152 2.568 . . . . 0.0 112.521 -174.547 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.3 m -63.12 -29.27 70.67 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.9 -49.87 53.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.374 0.607 . . . . 0.0 110.004 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 73.1 p -81.31 12.96 3.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.535 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.1 -41.18 74.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.599 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -57.33 -48.41 79.03 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.359 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -64.49 -41.53 96.4 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.38 0.61 . . . . 0.0 109.551 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.54 -48.0 80.5 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.359 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.67 ' O ' HG12 ' C' ' 127' ' ' ILE . 10.5 tpp180 -62.67 -42.99 99.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.201 176.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -57.12 -41.87 79.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.858 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.09 -40.21 80.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.67 HG12 ' O ' ' C' ' 124' ' ' ARG . 1.2 pt -62.73 -39.98 86.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' C' ' 128' ' ' LEU . 0.6 OUTLIER -66.49 -41.0 89.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.7 t -57.0 -25.97 59.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.789 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -153.45 77.99 1.14 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.019 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 19.9 tpt180 -112.17 122.27 37.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.761 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 49.5 Cg_exo -57.08 -41.37 75.33 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.488 2.792 . . . . 0.0 113.354 -176.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.753 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 21.9 m-85 -63.63 -42.35 98.17 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.871 170.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -55.76 -40.11 72.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -64.39 -61.1 2.43 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.045 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 45.1 pt -76.03 -37.32 33.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.852 HD12 ' CE1' ' A' ' 650' ' ' TYR . 4.1 tp -53.3 -47.9 68.84 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.85 0.296 . . . . 0.0 110.504 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.0 -53.8 27.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.86 -51.09 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.742 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 57.5 tp -57.62 -39.11 76.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.388 -176.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 94.0 p -84.74 -6.63 59.36 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 122.059 -0.4 . . . . 0.0 111.864 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 8.3 t -66.09 -16.67 64.14 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -170.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 144' ' ' ASP . . . . . 0.455 ' C ' ' HD3' ' C' ' 146' ' ' PRO . 31.7 t70 -147.2 64.55 1.16 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.542 0.686 . . . . 0.0 111.155 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -109.84 69.46 0.5 Allowed Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.773 168.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 146' ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' C' ' 144' ' ' ASP . 3.8 Cg_exo -72.14 126.02 11.39 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.269 1.979 . . . . 0.0 112.92 -173.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.607 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -166.77 169.83 40.94 Favored Glycine 0 N--CA 1.432 -1.614 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 167.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 41.6 t 81.83 96.53 0.04 OUTLIER Pre-proline 0 C--N 1.316 -0.848 0 O-C-N 124.345 0.674 . . . . 0.0 110.542 175.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.452 -0.948 0 C-N-CA 122.984 2.456 . . . . 0.0 111.94 177.623 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.681 0 CA-C-O 119.954 -0.359 . . . . 0.0 113.526 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 4.1 m -137.67 67.25 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 117.73 0.765 . . . . 0.0 112.984 -171.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 70.42 -15.14 0.37 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.934 168.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -143.89 80.25 1.65 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -91.24 19.17 48.47 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.718 -0.673 . . . . 0.0 113.748 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.442 ' HB2' ' OH ' ' A' ' 640' ' ' TYR . 24.9 m95 -50.1 -33.75 19.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.826 0.313 . . . . 0.0 111.467 174.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -59.46 -22.22 61.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.693 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -74.15 -33.03 63.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.828 -172.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -110.36 -0.6 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.471 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.3 t -120.59 99.58 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.9 p -102.56 168.69 9.12 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.839 -166.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -56.69 -39.31 73.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.784 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -60.94 -50.34 73.81 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.02 -49.53 76.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 604' ' ' VAL . 77.4 mtp180 -59.32 -38.85 81.33 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.997 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.7 m -54.56 -38.65 66.91 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.046 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -64.51 -42.91 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.25 0.547 . . . . 0.0 109.804 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.741 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 29.4 mt -66.94 -45.11 78.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.697 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.74 -40.71 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -59.83 -43.69 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.741 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 0.0 OUTLIER -59.76 -35.74 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -49.61 74.53 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.06 -49.13 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.651 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -55.42 -37.54 67.79 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.495 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.09 72.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.433 ' CD1' HD13 ' B' ' 845' ' ' LEU . 44.5 mt -95.52 -38.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.794 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.27 87.36 23.86 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -59.33 -41.28 60.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.619 2.213 . . . . 0.0 112.453 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.6 t -147.43 90.5 5.24 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.01 135.29 40.22 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.527 2.152 . . . . 0.0 111.729 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.42 164.82 31.17 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.15 -38.62 71.41 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.187 1.925 . . . . 0.0 113.18 -175.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -76.87 -21.25 55.25 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.201 -0.312 . . . . 0.0 111.561 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.98 60.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 109.945 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.45 -16.3 64.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.109 -175.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.439 ' HD2' ' C ' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -99.61 1.3 43.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 624' ' ' ARG . 10.2 t70 -95.25 139.64 31.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.263 0.554 . . . . 0.0 110.736 -170.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -60.81 -38.91 87.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.917 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' A' ' 622' ' ' ASP . 55.4 mtt180 -66.07 -40.33 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -66.41 -42.51 87.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.84 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -57.31 -40.89 78.81 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.791 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -58.26 -38.7 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.334 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.69 -47.4 81.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.467 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.75 -37.6 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 121.117 0.484 . . . . 0.0 110.08 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.491 ' HA ' ' HD2' ' A' ' 633' ' ' LYS . . . -64.16 -39.22 93.54 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.597 0.713 . . . . 0.0 109.619 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.48 -38.91 91.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.044 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.57 84.16 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' A' ' 630' ' ' ALA . 12.0 mttm -61.75 -48.09 82.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.271 0.558 . . . . 0.0 110.428 177.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.68 -47.58 76.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.314 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.95 -41.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.02 -39.5 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.478 0.656 . . . . 0.0 109.819 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -62.56 -41.87 99.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.76 -0.734 . . . . 0.0 111.934 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.84 -39.47 77.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.087 0.47 . . . . 0.0 110.373 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.474 ' HE2' ' HD2' ' A' ' 656' ' ' LYS . 24.7 mmt -64.88 -52.84 54.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.614 -174.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.442 ' OH ' ' HB2' ' A' ' 591' ' ' TRP . 32.4 t80 -66.23 -39.79 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.167 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.5 mt-10 -60.74 -39.34 88.32 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.787 0.327 . . . . 0.0 111.432 -176.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.0 p -95.59 -22.54 17.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.917 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.01 -69.05 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.94 0.98 1.32 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.174 0.59 . . . . 0.0 112.066 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.1 m -158.24 151.33 22.84 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -65.43 -42.15 92.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.15 -43.09 96.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.3 -37.42 87.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.973 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.72 -49.97 71.6 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.257 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.535 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 83.0 t80 -65.0 -43.58 92.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.785 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -55.9 -49.23 74.01 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.058 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.78 -40.8 95.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.601 ' O ' HG12 ' A' ' 657' ' ' ILE . 11.3 mt -63.65 -49.75 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.907 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.79 96.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.82 -51.1 63.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.323 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 843' ' ' ASN . 27.9 ttmt -68.15 -44.96 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.482 -175.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 653' ' ' LEU . 37.6 pt -59.75 -39.18 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.182 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -62.4 -40.17 95.64 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 117.864 0.302 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.57 -50.45 73.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.674 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.788 HD13 HD12 ' B' ' 845' ' ' LEU . 20.0 mt -69.6 -42.62 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.435 0.636 . . . . 0.0 110.231 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.394 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.38 -43.35 96.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.034 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' B' ' 850' ' ' MET . 47.4 mt -62.81 -39.71 95.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.834 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.47 -49.41 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.898 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -39.65 88.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.067 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.3 -41.86 99.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.444 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -74.32 -29.91 61.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.165 0.507 . . . . 0.0 109.842 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -80.72 -19.88 44.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.771 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 8.2 t -64.15 -24.37 67.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.624 -174.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 670' ' ' SER . 18.1 ptp180 160.87 142.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.535 0.734 . . . . 0.0 109.344 -174.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 672' ' ' LEU . 2.5 pt? . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.16 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.043 0.449 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 841' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' B' ' 846' ' ' PRO . . . -79.31 65.45 4.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.555 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . -78.52 -95.55 0.26 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.205 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.49 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 89.7 m-20 -108.16 7.04 27.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 29.2 pt -133.53 153.35 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.788 HD12 HD13 ' A' ' 660' ' ' ILE . 2.6 mt -77.09 126.0 85.97 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 -173.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' B' ' 841' ' ' ALA . 87.2 Cg_endo -79.52 175.07 11.07 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.811 2.341 . . . . 0.0 113.418 -174.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.7 m -54.84 -40.19 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.84 -49.55 70.8 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.4 mm -65.06 -40.89 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.569 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.414 ' HG3' ' CD2' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -60.86 -43.27 98.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.506 176.731 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.403 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -60.54 -50.36 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.28 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.29 -38.74 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.269 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.414 HD23 ' O ' ' B' ' 850' ' ' MET . 3.7 mm? -63.65 -39.41 94.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.909 176.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.2 -30.01 68.99 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 110.721 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -93.0 163.85 13.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.443 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 57.2 m -154.65 93.77 2.8 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--O 1.248 0.985 0 C-N-CA 123.062 2.508 . . . . 0.0 112.033 -178.822 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 p -80.95 -34.3 33.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.366 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.26 -60.36 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.767 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 79.7 p -92.17 43.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 110.33 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.36 -47.82 84.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.589 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 47.1 t -58.43 -50.32 74.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.371 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -42.6 99.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.171 177.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.575 ' O ' HG23 ' C' ' 127' ' ' ILE . 20.9 ttmm -61.18 -42.99 99.55 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.454 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.648 ' O ' HG12 ' C' ' 127' ' ' ILE . 3.5 tmm_? -55.27 -42.5 73.66 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.79 -44.45 96.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.34 0.591 . . . . 0.0 110.158 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 126' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' C' ' 123' ' ' LYS . 20.3 tt0 -55.16 -40.81 71.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.625 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.666 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 6.0 pt -59.93 -41.3 85.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.649 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.48 HD12 ' CE2' ' C' ' 134' ' ' TYR . 2.1 mm? -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.357 . . . . 0.0 110.464 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 16.5 m -60.8 -23.79 65.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.07 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -140.45 55.03 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.53 0.681 . . . . 0.0 109.83 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -114.83 100.78 53.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.891 -178.207 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' C' ' 131' ' ' ARG . 18.5 Cg_endo -59.2 -44.76 31.62 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.639 2.226 . . . . 0.0 113.262 -176.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.523 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 36.4 t80 -61.36 -43.36 98.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 177.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -59.97 -41.29 91.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' C' ' 136' ' ' LYS . 8.0 tmtm? -57.5 -56.33 23.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.27 -33.59 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.385 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 650' ' ' TYR . 19.3 tp -64.4 -49.73 70.42 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.884 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -65.47 -50.07 66.7 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.88 -48.48 74.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.331 0.586 . . . . 0.0 111.795 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.535 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 34.8 tp -67.38 -37.04 82.53 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.611 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 16.3 p -63.87 2.11 0.55 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -169.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 143' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' C' ' 144' ' ' ASP . 21.8 t -65.08 18.14 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 144' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' C' ' 142' ' ' SER . 23.1 t0 82.27 85.42 0.04 OUTLIER 'General case' 0 C--N 1.347 0.476 0 C-N-CA 123.684 0.794 . . . . 0.0 111.111 169.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -34.03 113.44 0.43 Allowed Pre-proline 0 N--CA 1.48 1.035 0 O-C-N 123.752 0.657 . . . . 0.0 112.477 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.76 125.3 13.02 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.505 2.137 . . . . 0.0 112.147 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . -144.46 -115.6 1.02 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.27 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 24.3 t 65.32 106.13 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 121.061 0.457 . . . . 0.0 111.13 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo . . . . . 0 C--O 1.248 0.976 0 C-N-CA 123.011 2.474 . . . . 0.0 111.894 178.263 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.516 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 4.6 m -85.11 94.33 3.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.514 0.673 . . . . 0.0 110.596 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -130.51 83.94 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.87 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -137.11 94.44 2.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.339 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -97.19 10.12 65.44 Favored Glycine 0 C--N 1.33 0.215 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.612 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -49.68 -50.8 42.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -61.21 -19.23 61.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.823 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -79.62 -33.81 41.16 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.806 -175.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -105.76 -7.24 18.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.833 0.349 . . . . 0.0 110.659 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 46.6 t -120.66 104.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.2 p -102.04 168.26 9.51 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.954 -167.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -55.53 -39.79 70.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.797 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -58.97 -49.35 78.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.91 -49.17 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.01 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 604' ' ' VAL . 81.2 mtp180 -61.95 -43.04 99.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 47.7 m -58.63 -39.3 80.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.599 ' NE2' ' HA3' ' C' ' 147' ' ' GLY . 38.2 m170 -64.27 -40.06 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 653' ' ' LEU . 24.5 mt -65.48 -46.87 78.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.389 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -59.57 -40.65 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 120.887 0.375 . . . . 0.0 110.65 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -57.65 -39.79 77.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.533 ' NZ ' ' HG ' ' C' ' 141' ' ' LEU . 54.0 mtpt -64.1 -38.64 91.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.789 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -46.99 80.75 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.51 -45.68 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.446 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -55.67 -38.64 69.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.03 72.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.46 0.648 . . . . 0.0 110.534 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.433 ' CD1' HD11 ' A' ' 628' ' ' LEU . 48.3 mt -89.5 -36.04 8.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.492 -176.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.11 84.97 55.02 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.012 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.18 -41.9 15.17 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.171 1.914 . . . . 0.0 112.556 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 39.1 p -131.61 75.14 77.09 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.302 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -80.87 140.86 13.03 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.78 1.653 . . . . 0.0 111.783 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.2 168.04 15.43 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.42 ' HA ' HD12 ' A' ' 620' ' ' LEU . 50.8 Cg_exo -51.97 -36.27 63.88 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.215 1.943 . . . . 0.0 113.164 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.7 56.07 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 122.195 -0.315 . . . . 0.0 111.238 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.76 -42.22 64.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.1 mt -65.39 -30.07 70.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.007 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -95.62 11.96 31.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.59 0.233 . . . . 0.0 111.46 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.67 133.46 35.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -39.72 83.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.68 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.18 -40.62 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 110.12 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 2.0 tmt? -65.75 -39.98 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.851 176.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.72 -39.76 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.285 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -58.82 -39.11 80.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 611' ' ' ILE . 41.4 tp -60.69 -42.14 96.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.057 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.53 -37.4 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.248 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.24 95.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 109.921 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.69 -40.02 91.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.016 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.69 88.94 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.248 0.546 . . . . 0.0 109.889 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 633' ' ' LYS . 13.5 tmtt? -59.25 -46.04 89.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.787 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -62.91 -49.04 76.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 78.0 t -57.24 -45.6 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.432 ' HG3' HG22 ' A' ' 604' ' ' VAL . 5.7 tm-20 -61.99 -39.61 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 109.806 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 637' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.09 -38.81 87.95 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.687 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.24 -37.93 81.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.482 0.658 . . . . 0.0 110.367 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.403 ' HE2' ' HD2' ' A' ' 656' ' ' LYS . 22.2 mmt -63.94 -49.02 74.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.959 -175.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.97 -39.69 94.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 47.3 mt-10 -64.61 -40.5 95.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.178 0.513 . . . . 0.0 110.915 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 -29.58 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.876 -174.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.33 -70.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.34 8.93 2.33 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.38 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.2 m -156.1 158.33 37.54 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -65.14 -49.79 68.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.739 0.304 . . . . 0.0 111.669 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.88 -43.32 96.41 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.567 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.13 -36.45 84.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.407 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.49 -50.44 73.05 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.46 ' HE2' ' CD1' ' C' ' 138' ' ' LEU . 55.9 t80 -65.88 -44.18 86.09 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.9 0.381 . . . . 0.0 110.417 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -61.82 -44.73 96.26 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.615 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.23 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 657' ' ' ILE . 14.0 mt -59.32 -49.28 78.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.17 96.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.098 0.475 . . . . 0.0 110.308 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.54 ' OE2' HD21 ' C' ' 128' ' ' LEU . 18.6 tp10 -59.98 -51.34 70.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.827 -177.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 20.9 ttmt -68.26 -43.32 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.489 -176.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.3 pt -62.18 -39.34 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.519 ' CE2' ' HG2' ' C' ' 131' ' ' ARG . 6.6 t80 -60.47 -39.56 88.08 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.369 0.532 . . . . 0.0 111.192 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.491 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 0.8 OUTLIER -58.94 -50.92 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.882 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.815 HD13 HD12 ' B' ' 845' ' ' LEU . 23.8 mt -68.98 -44.37 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.459 0.647 . . . . 0.0 110.183 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -54.67 -40.93 69.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.145 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 110.092 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 16.3 tt0 -65.62 -38.73 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.787 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.582 HD21 ' SD ' ' B' ' 850' ' ' MET . 31.2 mt -56.55 -41.83 77.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.24 -45.87 89.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.1 -38.85 92.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.806 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -57.27 -49.06 77.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.66 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -73.52 -23.21 59.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 110.191 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -74.97 -20.93 59.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.056 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 17.0 m -96.68 0.21 49.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.575 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 671' ' ' ARG . 6.9 tmm_? -42.63 136.46 2.51 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.399 176.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.553 -0.736 . . . . 0.0 109.694 -177.186 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.313 0.578 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -92.46 60.14 3.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.123 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 95.57 163.05 34.08 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.335 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -78.14 61.52 2.67 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.023 0.439 . . . . 0.0 110.1 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 50.4 pt -74.1 150.7 7.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 173.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.815 HD12 HD13 ' A' ' 660' ' ' ILE . 2.6 mt -79.07 122.16 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.523 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.65 173.87 10.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.567 2.178 . . . . 0.0 112.773 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 26.8 t -57.79 -41.47 82.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -49.02 71.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 46.0 mm -65.42 -41.28 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 110.741 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.582 ' SD ' HD21 ' A' ' 664' ' ' LEU . 30.7 mmt -65.19 -38.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.468 -178.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.34 -37.76 62.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.942 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -57.44 -49.81 75.06 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.142 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.533 HG12 ' O ' ' B' ' 850' ' ' MET . 9.2 p -66.45 -39.69 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.17 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.404 HD23 ' O ' ' B' ' 850' ' ' MET . 4.0 mm? -55.92 -38.98 70.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 175.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 855' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' B' ' 855' ' ' LYS . 4.3 ttmp? -99.62 17.97 19.18 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.261 0.553 . . . . 0.0 110.497 -174.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -110.36 140.18 44.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.109 -0.37 . . . . 0.0 110.807 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 50.1 m -124.89 103.91 30.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.201 175.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 123.324 2.682 . . . . 0.0 112.129 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m -64.25 -29.77 70.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.914 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 80.5 t -55.91 -46.93 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.542 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 20.0 p -84.56 12.24 7.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 41.8 m-20 -56.6 -38.4 71.99 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.598 0.237 . . . . 0.0 111.357 175.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 26.0 t -57.17 -42.14 80.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.462 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -63.07 -43.09 99.54 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.725 0.297 . . . . 0.0 110.8 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 29.5 pttt -63.05 -40.96 99.28 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.414 ' O ' HG12 ' C' ' 127' ' ' ILE . 0.0 OUTLIER -62.95 -44.54 95.79 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.33 178.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -57.9 -40.26 79.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.474 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -56.47 -40.25 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.66 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.71 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.5 OUTLIER -65.62 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.603 HD22 HG12 ' C' ' 127' ' ' ILE . 2.2 mm? -66.88 -45.99 76.35 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.365 0.602 . . . . 0.0 110.186 -176.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 37.6 m -57.88 -34.53 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.129 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 130' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' C' ' 130' ' ' ARG . 4.7 tpm_? -131.44 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.71 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 12.3 tpt180 -112.97 119.08 43.48 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -48.36 -68.87 0.08 OUTLIER 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 123.21 2.607 . . . . 0.0 113.557 -172.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.593 ' CZ ' HD12 ' C' ' 128' ' ' LEU . 24.4 t80 -58.3 -48.29 80.95 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 -175.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -64.04 -41.95 97.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.167 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.84 -43.87 90.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.4 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 137' ' ' ILE . . . . . 0.657 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 29.3 pt -75.16 -40.96 44.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.668 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 14.3 tp -55.63 -47.92 75.81 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -63.72 -49.4 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.36 -42.08 93.17 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.413 0.625 . . . . 0.0 111.197 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.657 ' HB2' ' O ' ' C' ' 137' ' ' ILE . 12.8 tp -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.551 -171.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 2.2 p -68.47 -26.81 65.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.418 0.628 . . . . 0.0 111.542 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 9.6 t -93.67 44.77 1.14 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -171.81 76.79 0.06 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.983 -171.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -110.37 72.11 0.68 Allowed Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 168.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.88 127.49 17.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.102 2.534 . . . . 0.0 114.129 -162.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.599 ' HA3' ' NE2' ' A' ' 602' ' ' HIS . . . 158.33 -137.18 5.13 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 173.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 54.7 t 74.4 100.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 C-N-CA 122.938 0.495 . . . . 0.0 110.307 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 C--O 1.247 0.953 0 C-N-CA 122.989 2.459 . . . . 0.0 111.958 -178.491 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.79 98.53 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-O 121.554 0.692 . . . . 0.0 109.714 173.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -79.62 -68.23 0.69 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.772 -176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -112.1 65.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.406 0.622 . . . . 0.0 111.228 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -93.52 -4.96 63.66 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.036 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.418 ' HB3' ' HG3' ' A' ' 646' ' ' ARG . 10.2 m95 -50.93 -52.3 43.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 122.806 0.442 . . . . 0.0 111.974 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -67.29 -13.19 61.75 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.251 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -73.39 -28.53 62.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.655 0.264 . . . . 0.0 110.343 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.492 ' O ' ' HA3' ' C' ' 147' ' ' GLY . 56.0 t-80 -86.77 -10.97 52.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 74.9 t -103.09 113.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.527 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 45.8 p -97.33 176.89 5.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -175.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -62.15 -38.94 90.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.65 -48.28 81.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.717 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.519 HD11 ' HB1' ' C' ' 145' ' ' ALA . 49.6 tp -61.89 -40.73 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.46 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 604' ' ' VAL . 77.2 mtp180 -63.75 -50.53 68.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.471 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 41.7 t -55.66 -42.03 74.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.364 -177.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 42.1 m80 -65.53 -40.35 92.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.501 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.91 -46.89 76.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.927 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.8 t -64.15 -40.52 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.108 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.29 -46.09 83.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.488 ' HD3' HD11 ' C' ' 141' ' ' LEU . 97.5 mttt -56.4 -39.26 72.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.943 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.5 95.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.945 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.33 -49.19 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 175.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 612' ' ' PHE . 16.5 mm100 -55.36 -37.31 67.32 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.333 0.587 . . . . 0.0 110.523 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.13 -39.73 79.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.006 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 31.8 mt -90.99 -36.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.243 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -126.7 102.85 25.07 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.399 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 20.8 Cg_endo -58.25 -41.62 64.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.723 2.282 . . . . 0.0 112.869 -174.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.9 t -162.7 89.17 1.32 Allowed Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 121.287 0.565 . . . . 0.0 111.147 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.72 146.01 59.14 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.472 2.114 . . . . 0.0 111.904 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -86.01 161.58 49.34 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.032 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.513 ' HA ' HD12 ' A' ' 620' ' ' LEU . 51.3 Cg_exo -51.45 -37.6 62.04 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 113.543 -175.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.65 -21.46 44.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.0 -0.437 . . . . 0.0 110.994 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.72 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.437 0.637 . . . . 0.0 110.1 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.1 mt -65.83 -22.41 66.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.284 -175.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -99.17 10.81 40.7 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.88 143.37 26.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.671 0.272 . . . . 0.0 110.364 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.26 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.156 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -66.41 -41.35 89.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.46 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.8 tmt? -66.14 -38.92 89.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.002 176.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.96 -39.45 68.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.648 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -58.48 -38.32 77.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 625' ' ' MET . 21.0 tp -63.5 -49.46 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.19 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -40.49 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.521 0.677 . . . . 0.0 110.861 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.17 82.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.232 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.69 -42.65 99.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.129 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.11 95.12 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.209 0.528 . . . . 0.0 110.108 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -62.58 -43.97 97.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.09 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.6 -42.83 95.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 111.297 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.453 ' O ' ' HG2' ' A' ' 639' ' ' MET . 54.7 t -59.15 -44.76 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.437 177.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.068 0.461 . . . . 0.0 109.981 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.06 95.94 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.115 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.46 -38.92 89.0 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 26.0 mmt -56.05 -45.17 79.33 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.628 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -55.76 -41.44 73.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.988 0.423 . . . . 0.0 111.02 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.55 -47.36 73.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 10.8 p -88.04 -53.21 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.411 ' HB2' HD12 ' A' ' 652' ' ' LEU . . . -56.13 -48.26 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.4 t30 72.41 -29.57 0.2 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.491 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 10.7 m -125.35 159.67 31.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.997 0.362 . . . . 0.0 110.71 -173.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.505 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 62.2 mtp180 -66.57 -51.16 59.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.46 -41.62 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 110.449 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.41 -35.76 81.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.293 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 646' ' ' ARG . 16.6 t80 -55.32 -47.72 75.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.328 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.73 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 39.1 t80 -67.24 -43.81 80.99 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.036 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -57.42 -44.78 84.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.743 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 643' ' ' ALA . 38.6 mt -64.58 -38.3 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.18 -42.37 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.716 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.32 90.79 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.091 0.472 . . . . 0.0 110.702 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.762 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 30.9 tt0 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.624 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -63.49 -49.39 73.74 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.976 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 33.7 pt -64.0 -38.53 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.635 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -59.88 -44.03 94.44 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 117.779 0.263 . . . . 0.0 111.046 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -55.93 -49.16 74.26 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 111.408 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.443 HD13 HD11 ' B' ' 845' ' ' LEU . 42.9 mt -65.6 -51.23 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.489 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -56.79 -40.85 76.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.021 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.39 -49.63 74.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -64.74 -40.12 94.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.963 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.25 -41.74 80.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.982 0.42 . . . . 0.0 110.43 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.81 -47.64 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -39.55 94.99 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.265 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -73.28 -31.26 63.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.157 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -69.92 -33.4 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.704 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.0 m -92.47 -7.4 47.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.057 0.456 . . . . 0.0 111.015 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 60.98 54.03 3.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.309 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--O 1.248 0.994 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.731 -177.207 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 121.331 0.586 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -101.64 26.16 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.579 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 94.81 67.92 1.03 Allowed Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.986 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.433 HD22 ' HA ' ' B' ' 843' ' ' ASN . 0.7 OUTLIER -70.61 -31.97 69.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.973 -0.613 . . . . 0.0 109.956 176.81 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.1 mt -120.17 151.86 22.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.636 HD12 ' H ' ' B' ' 845' ' ' LEU . 0.4 OUTLIER -88.94 143.28 31.19 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.644 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.61 167.68 7.92 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.308 2.005 . . . . 0.0 112.199 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.3 t -54.5 -37.86 65.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.306 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -53.59 -46.76 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.473 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.99 -44.48 96.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.046 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -63.27 -43.28 98.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.5 178.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.87 -41.04 97.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.066 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.53 -45.92 85.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.921 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.78 -38.66 89.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.459 172.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 855' ' ' LYS . . . . . 0.511 ' HA ' ' HE3' ' B' ' 855' ' ' LYS . 0.1 OUTLIER -68.87 -24.15 64.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -176.247 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 856' ' ' ASN . . . . . 0.54 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 23.6 t-20 -92.44 135.09 34.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 26.5 m -95.14 105.17 17.93 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.008 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.54 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 5.5 Cg_exo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.691 2.261 . . . . 0.0 111.046 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ASP . . . . . 0.498 ' HA ' ' HD2' ' C' ' 123' ' ' LYS . 16.4 t70 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 11.1 p -85.98 -41.42 14.88 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -173.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 90.5 t -79.95 -58.75 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.343 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 82.2 p -95.03 46.34 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.402 0.62 . . . . 0.0 110.829 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.719 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 15.0 p-10 -58.81 -47.89 83.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.669 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 44.7 t -56.86 -49.48 75.35 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.95 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.34 -43.98 97.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.809 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.721 ' O ' HG23 ' C' ' 127' ' ' ILE . 8.1 ptmm? -57.34 -42.63 82.31 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.75 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 124' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -53.45 -47.35 69.8 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.193 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -65.1 -48.97 71.79 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.286 0.565 . . . . 0.0 110.483 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.79 -41.54 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 113.658 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.721 HG23 ' O ' ' C' ' 123' ' ' LYS . 7.0 pt -59.1 -40.46 80.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.323 0.51 . . . . 0.0 110.842 -175.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.431 HD12 ' CZ ' ' C' ' 134' ' ' TYR . 0.6 OUTLIER -65.12 -40.56 94.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.323 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 11.2 t -56.08 -37.84 69.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.316 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -152.79 89.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.458 0.647 . . . . 0.0 110.169 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.614 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.32 130.01 24.06 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.245 179.221 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -58.95 -27.75 85.67 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.59 2.193 . . . . 0.0 111.923 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 133' ' ' SEP . . . . . 0.409 ' O1P' ' HA ' ' C' ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.762 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 10.5 m-85 -62.21 -38.36 88.86 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-O 120.918 0.39 . . . . 0.0 110.19 174.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -53.69 -40.1 65.72 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -76.56 -60.3 2.4 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.86 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 137' ' ' ILE . . . . . 0.526 HG13 ' N ' ' C' ' 138' ' ' LEU . 28.5 pt -77.71 -50.76 19.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.206 -173.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.526 ' N ' HG13 ' C' ' 137' ' ' ILE . 9.2 tp -56.02 -42.74 76.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.129 0.422 . . . . 0.0 111.479 -172.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -63.99 -52.73 58.22 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.702 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.02 -46.52 70.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 111.518 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.488 HD11 ' HD3' ' A' ' 606' ' ' LYS . 20.2 tp -62.0 -38.27 87.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.407 -170.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.73 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 6.4 p -66.84 -33.62 76.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.333 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m 39.96 22.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 34.4 t70 61.27 64.1 1.14 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -32.8 96.02 0.09 OUTLIER Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.645 1.178 . . . . 0.0 113.656 -169.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 146' ' ' PRO . . . . . 0.44 ' O ' HD13 ' A' ' 599' ' ' LEU . 12.3 Cg_exo -68.21 125.42 12.95 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.03 2.487 . . . . 0.0 112.678 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.492 ' HA3' ' O ' ' A' ' 594' ' ' HIS . . . -130.67 53.73 0.8 Allowed Glycine 0 C--N 1.32 -0.315 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.827 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.492 ' HB ' ' HD3' ' C' ' 149' ' ' PRO . 12.7 t -146.71 -51.99 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 122.309 0.244 . . . . 0.0 111.398 -177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 149' ' ' PRO . . . . . 0.492 ' HD3' ' HB ' ' C' ' 148' ' ' VAL . 2.6 Cg_exo . . . . . 0 C--O 1.251 1.131 0 C-N-CA 122.145 1.897 . . . . 0.0 111.954 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 120.1 -0.278 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.88 95.47 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 117.793 0.797 . . . . 0.0 111.867 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.01 55.52 7.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.617 172.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 589' ' ' LYS . 18.8 ptpt -140.4 111.1 6.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.425 0.631 . . . . 0.0 109.418 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -95.17 -8.41 58.88 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.923 -172.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -50.8 -54.26 25.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -69.93 -9.69 55.92 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -86.09 -24.27 26.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.558 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -93.82 -9.67 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.339 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 68.9 t -101.38 122.78 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.087 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 38.6 p -107.82 170.08 8.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.234 -176.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.97 -40.31 73.07 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.085 0.24 . . . . 0.0 111.098 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.49 -49.85 76.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.521 HD11 ' HB1' ' C' ' 145' ' ' ALA . 50.8 tp -58.01 -40.83 81.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.457 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 604' ' ' VAL . 41.3 mtp180 -62.84 -45.14 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.41 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.0 m -58.36 -40.66 82.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.147 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.558 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 69.1 m80 -64.8 -40.63 95.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.125 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.409 HD23 ' HD3' ' A' ' 606' ' ' LYS . 22.0 mt -65.38 -49.08 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.968 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -60.8 -40.54 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.489 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -58.49 -39.89 81.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.676 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 29.1 mtpp -57.43 -40.13 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 177.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.53 HD11 ' HZ2' ' A' ' 656' ' ' LYS . 7.5 mt -63.3 -51.04 67.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.445 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.54 -49.02 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.355 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -57.92 -39.02 76.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.184 0.516 . . . . 0.0 110.526 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.6 94.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.475 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 46.7 mt -86.82 -36.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.076 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' B' ' 858' ' ' PRO . 0.4 OUTLIER -130.56 104.11 16.07 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 19.0 Cg_endo -56.83 -40.83 81.39 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.159 2.572 . . . . 0.0 113.553 -170.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.8 t -157.75 90.81 2.3 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 121.369 0.604 . . . . 0.0 111.258 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 137.88 36.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 111.706 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -84.19 164.58 42.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.203 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.67 -36.04 40.0 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.513 2.142 . . . . 0.0 113.81 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.97 -23.43 31.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.311 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.33 70.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.553 0.692 . . . . 0.0 109.958 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.76 -26.52 65.27 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.883 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -94.19 -0.37 55.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.135 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.15 148.69 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.184 0.516 . . . . 0.0 110.74 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -62.99 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.48 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.432 ' HG2' ' CE1' ' B' ' 852' ' ' PHE . 0.3 OUTLIER -58.65 -45.17 89.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 17.0 tpt -59.77 -39.01 83.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.927 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.94 -38.67 67.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -57.76 -40.16 79.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.64 -48.68 73.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.395 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.73 -38.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.106 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.538 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -60.4 -39.98 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.091 -176.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.39 84.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -175.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 5.0 mtpt -64.5 -46.23 83.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.081 0.467 . . . . 0.0 110.357 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -58.89 -49.78 76.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.317 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -46.55 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.596 ' HA ' ' OE1' ' A' ' 636' ' ' GLU . 0.7 OUTLIER -64.3 -39.46 93.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 -177.485 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.61 -37.22 74.84 Favored Glycine 0 CA--C 1.516 0.148 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.9 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.65 -37.58 79.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.186 -0.507 . . . . 0.0 112.058 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.53 ' HG3' HD21 ' A' ' 653' ' ' LEU . 22.4 mmt -55.63 -40.91 72.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -55.19 -39.55 69.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.66 -40.58 88.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.6 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.7 p -88.22 -36.64 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.21 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.17 -9.21 1.18 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.306 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 39.9 m -155.35 157.92 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.01 -0.431 . . . . 0.0 109.978 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 22.6 ttp180 -66.68 -46.42 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.646 0.26 . . . . 0.0 111.529 -177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.37 -40.07 96.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.123 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.27 -37.31 87.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.941 0.401 . . . . 0.0 110.003 173.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 17.9 t80 -57.36 -50.25 73.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.729 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 89.7 t80 -66.28 -41.04 90.4 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.193 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -56.5 -47.27 79.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.241 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.44 -38.77 92.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.3 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 649' ' ' TYR . 86.7 mt -66.21 -39.92 89.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.406 ' HB1' ' CE2' ' C' ' 134' ' ' TYR . . . -59.47 -47.19 86.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.043 177.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.572 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 34.4 tt0 -59.31 -40.26 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.442 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.53 ' HZ2' HD11 ' A' ' 607' ' ' LEU . 29.6 ttpt -64.03 -49.17 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.783 -178.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 44.4 pt -65.12 -37.77 81.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.843 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.69 -39.38 93.79 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.069 0.395 . . . . 0.0 110.302 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.585 ' HG2' HG22 ' B' ' 844' ' ' ILE . 0.2 OUTLIER -62.1 -41.1 97.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 177.564 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.511 HG12 HD11 ' B' ' 845' ' ' LEU . 36.6 mt -64.27 -48.66 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.553 0.692 . . . . 0.0 109.532 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.41 -47.57 69.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.919 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 662' ' ' LYS . 65.7 mmtt -65.35 -39.28 92.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.46 -43.1 93.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.036 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.9 mt -62.58 -41.32 98.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.403 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.07 -50.48 71.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.652 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -38.7 91.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.677 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -64.18 -43.61 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.24 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -76.1 -26.54 56.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.197 0.522 . . . . 0.0 110.152 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -75.96 -17.52 59.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 16.2 m -104.46 2.8 31.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.457 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -39.18 118.92 0.85 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.346 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.164 176.288 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 121.102 0.477 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -82.8 72.08 9.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.853 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.86 119.9 4.32 Favored Glycine 0 N--CA 1.437 -1.242 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -171.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -81.07 47.09 0.97 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 844' ' ' ILE . . . . . 0.585 HG22 ' HG2' ' A' ' 659' ' ' LYS . 30.8 pt -119.76 154.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.594 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 660' ' ' ILE . 3.8 mp -76.89 124.79 87.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.971 -164.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.51 178.48 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.732 2.288 . . . . 0.0 112.277 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -57.14 -48.32 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -173.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.02 -49.65 68.42 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.18 -40.5 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.088 0.47 . . . . 0.0 110.47 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.414 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 4.5 mmt -64.08 -41.07 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.912 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.76 -39.72 74.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.208 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.432 ' CE1' ' HG2' ' A' ' 624' ' ' ARG . 27.3 t80 -62.58 -49.88 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.793 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.22 -38.06 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.13 -38.84 91.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.142 -0.349 . . . . 0.0 111.122 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -72.59 -45.21 60.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 856' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 26.8 t-20 -92.49 127.04 37.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 857' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' B' ' 858' ' ' PRO . 22.2 m -80.51 110.94 18.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.189 -176.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 612' ' ' PHE . 10.2 Cg_endo . . . . . 0 N--CA 1.45 -1.048 0 C-N-CA 123.413 2.742 . . . . 0.0 111.62 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.424 0.154 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 4.2 m -65.43 -33.87 76.97 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.696 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.85 -48.74 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.235 0.541 . . . . 0.0 110.341 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 67.0 p -93.38 36.86 1.05 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.278 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.47 -47.58 85.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.338 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 24.7 t -59.08 -48.58 81.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.069 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -60.9 -46.56 90.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.884 -0.144 . . . . 0.0 111.061 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -62.91 -47.21 84.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.612 0.244 . . . . 0.0 110.953 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.485 ' O ' HG12 ' C' ' 127' ' ' ILE . 14.4 tpp180 -55.92 -45.4 78.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.256 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 125' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' C' ' 125' ' ' ARG . 37.6 ttp180 -55.84 -39.84 71.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.87 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.83 -42.6 79.92 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.712 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.657 HG12 HD22 ' C' ' 128' ' ' LEU . 0.6 OUTLIER -64.21 -40.17 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.209 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.657 HD22 HG12 ' C' ' 127' ' ' ILE . 2.7 mm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 32.2 t -61.16 -31.18 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -129.14 54.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.491 0.662 . . . . 0.0 110.073 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 17.5 tpt180 -106.21 122.96 40.49 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.652 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.03 -35.46 65.47 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 111.84 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.572 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 7.7 m-85 -64.31 -38.31 90.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.564 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -54.49 -39.97 68.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' C' ' 136' ' ' LYS . 0.0 OUTLIER -72.19 -67.17 0.56 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.87 174.158 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 137' ' ' ILE . . . . . 0.435 HG13 ' N ' ' C' ' 138' ' ' LEU . 47.0 pt -78.13 -47.78 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.586 HD12 ' CE2' ' A' ' 650' ' ' TYR . 6.1 tp -57.01 -48.65 77.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 117.688 0.222 . . . . 0.0 111.487 -173.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -65.06 -53.09 51.0 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.88 -47.09 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.162 0.506 . . . . 0.0 112.077 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.524 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 59.0 tp -62.02 -41.36 98.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.729 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 70.8 p -77.17 -3.0 37.32 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 68.4 m -78.81 15.88 0.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -177.58 78.11 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 111.653 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.521 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -107.5 65.49 0.23 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.884 166.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.12 154.59 57.27 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.151 1.901 . . . . 0.0 112.317 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . -91.29 33.55 4.68 Favored Glycine 0 N--CA 1.462 0.396 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 166.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 38.0 t -146.95 104.46 3.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 114.313 -0.944 . . . . 0.0 108.598 -172.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--O 1.25 1.096 0 C-N-CA 122.761 2.307 . . . . 0.0 112.6 -175.107 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 8.8 m -113.85 59.36 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 122.188 0.994 . . . . 0.0 109.919 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -148.29 57.4 1.07 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.842 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -165.73 176.54 7.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.009 -175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 94.87 26.66 12.38 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.357 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 13.7 m95 -64.98 -3.59 3.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -72.13 -15.93 61.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.721 0.772 . . . . 0.0 108.918 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -70.71 -13.25 62.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.373 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -101.49 7.2 42.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.125 0.488 . . . . 0.0 110.429 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.417 HG13 HD23 ' A' ' 599' ' ' LEU . 40.5 t -107.91 131.66 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 82.4 p -90.07 172.31 8.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.416 -171.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -37.8 86.09 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.52 -49.12 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.753 -174.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.417 HD23 HG13 ' A' ' 595' ' ' VAL . 29.6 tp -58.62 -43.12 89.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.589 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.523 ' O ' HG23 ' A' ' 604' ' ' VAL . 19.8 mtm180 -65.55 -41.13 93.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.2 m -55.56 -40.42 71.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 110.511 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -64.67 -40.74 95.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.501 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 603' ' ' LEU . 14.9 mt -64.84 -48.97 72.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.367 -178.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -57.11 -44.64 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.044 0.45 . . . . 0.0 110.322 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.6 t-80 -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.477 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -58.03 -40.45 80.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.944 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.3 OUTLIER -55.92 -49.76 72.57 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.65 -43.76 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.414 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.1 mm100 -56.83 -41.36 77.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.195 0.521 . . . . 0.0 111.341 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.85 91.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.906 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 607' ' ' LEU . 45.1 mt -79.5 -35.18 16.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.759 -175.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -132.16 100.93 15.24 Favored Pre-proline 0 N--CA 1.449 -0.495 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 24.4 Cg_endo -59.92 -34.5 95.22 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.988 2.459 . . . . 0.0 113.277 -175.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.2 t -171.58 94.17 0.42 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.309 0.576 . . . . 0.0 110.43 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.19 128.07 4.8 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.076 1.85 . . . . 0.0 113.113 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.59 155.04 15.13 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.963 170.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.477 ' HA ' HD12 ' A' ' 620' ' ' LEU . 9.5 Cg_endo -53.83 -38.28 85.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.594 2.196 . . . . 0.0 111.48 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -58.28 -34.02 70.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -74.14 -49.71 22.58 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 110.38 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.4 mt -54.32 -30.86 52.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 3.82 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 110.859 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 619' ' ' ALA . 18.7 t0 -96.2 141.18 29.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.66 -174.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -57.95 -38.36 75.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.309 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.458 ' HD2' ' CE1' ' B' ' 852' ' ' PHE . 60.7 mtm180 -59.06 -44.51 91.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.109 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 629' ' ' VAL . 16.3 tpt -65.13 -42.53 93.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.86 -45.33 78.5 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -61.96 -38.65 89.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.74 -49.91 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.064 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 625' ' ' MET . 3.4 t -57.27 -38.48 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.547 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -62.2 -39.02 91.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.431 0.634 . . . . 0.0 110.286 -176.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 635' ' ' VAL . 35.0 t80 -60.72 -44.37 96.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.949 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.29 89.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.863 -174.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.547 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 6.1 mtpt -64.85 -49.35 70.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -60.09 -46.35 89.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.344 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 631' ' ' TYR . 67.6 t -63.6 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.341 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.03 -39.53 66.26 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.04 96.96 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.25 -39.54 89.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 110.731 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.4 mmt -64.26 -51.08 65.33 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.86 -174.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -55.66 -46.6 77.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.877 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.01 -49.5 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.911 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 39.8 m -75.73 -36.52 59.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -60.94 -59.31 5.58 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.56 -17.01 0.5 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.681 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 11.8 m -132.83 156.06 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -66.37 -50.64 62.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -61.02 -46.65 89.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -174.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.49 -37.08 86.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.65 -49.57 77.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.142 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.577 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 76.4 t80 -65.84 -43.49 88.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 109.963 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -57.81 -48.29 80.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.792 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.8 -51.26 70.08 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.051 0.219 . . . . 0.0 111.27 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.96 -40.66 87.53 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.99 97.16 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 110.202 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.593 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 40.9 tt0 -64.46 -40.82 96.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.293 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -64.7 -50.59 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.859 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.74 -40.64 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.363 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.448 ' HB3' ' OH ' ' C' ' 134' ' ' TYR . 74.7 t80 -66.08 -45.2 82.13 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.27 0.486 . . . . 0.0 110.969 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -55.05 -51.09 67.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.769 HG21 HD12 ' B' ' 845' ' ' LEU . 18.5 mt -68.92 -42.91 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.007 0.432 . . . . 0.0 111.07 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.99 -44.1 74.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -64.78 -39.78 94.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.145 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 17.3 tp10 -57.99 -40.86 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.574 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.08 -42.41 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.451 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.52 -46.74 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.563 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.0 OUTLIER -61.97 -39.6 92.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.956 178.536 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.71 -45.78 81.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.005 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -77.38 -29.44 53.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.34 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -71.42 -41.96 68.87 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.201 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 21.2 t -83.14 18.64 1.64 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 670' ' ' SER . 27.5 tpt180 78.04 128.49 0.05 OUTLIER 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.951 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--O 1.251 1.18 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.276 178.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.358 0.599 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -137.55 20.51 2.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.709 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 92.79 112.52 2.07 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.082 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -107.83 32.85 4.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 38.0 pt -132.4 157.06 42.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 113.67 -1.605 . . . . 0.0 108.02 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 660' ' ' ILE . 3.3 mt -74.56 115.01 39.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.628 0.251 . . . . 0.0 110.356 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' B' ' 850' ' ' MET . 24.7 Cg_exo -64.16 169.43 10.7 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 0.0 113.412 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.4 m -54.33 -40.53 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.23 0.331 . . . . 0.0 111.456 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.9 -49.62 70.76 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.468 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.2 -39.73 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.047 0.451 . . . . 0.0 110.493 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 846' ' ' PRO . 10.4 mmt -56.46 -38.11 71.22 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.129 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -54.78 -39.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.355 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.458 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 12.0 m-30 -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.287 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.57 -44.0 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.608 0.242 . . . . 0.0 111.57 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.46 -40.88 96.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -95.2 17.52 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.337 0.589 . . . . 0.0 110.773 -173.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -121.99 151.98 40.22 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 55.8 m -147.29 118.69 4.61 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.296 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.247 0.967 0 C-N-CA 123.011 2.474 . . . . 0.0 111.998 177.741 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 120.546 0.213 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.0 m -63.43 -32.22 73.59 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.95 0.405 . . . . 0.0 110.883 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.0 -51.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.466 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 40.2 p -73.21 -7.33 50.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.372 . . . . 0.0 111.234 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.66 -42.81 75.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.974 173.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 50.7 m -63.14 -44.68 94.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.649 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.21 -47.52 76.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -63.92 -39.82 95.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.042 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.611 ' O ' HG12 ' C' ' 127' ' ' ILE . 24.5 ttm180 -59.29 -45.69 90.58 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.956 175.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -58.04 -38.74 76.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.964 -175.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -56.38 -40.31 74.37 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.901 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.611 HG12 ' O ' ' C' ' 124' ' ' ARG . 2.0 pt -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.486 HD22 HG12 ' C' ' 127' ' ' ILE . 1.5 mm? -65.46 -41.98 92.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.92 -176.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 28.1 t -63.28 -14.54 50.73 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.86 48.03 1.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.519 ' NE ' ' HA ' ' C' ' 131' ' ' ARG . 0.0 OUTLIER -114.53 105.21 53.92 Favored Pre-proline 0 C--N 1.323 -0.563 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.443 -178.646 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' C' ' 131' ' ' ARG . 52.7 Cg_endo -69.25 -22.19 34.77 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.482 2.121 . . . . 0.0 112.1 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 133' ' ' SEP . . . . . 0.429 ' O ' ' HB3' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.625 ' O ' ' HB3' ' C' ' 138' ' ' LEU . 49.3 m-85 -63.79 -39.76 95.02 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 120.673 0.273 . . . . 0.0 110.38 173.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.01 -39.19 68.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' C' ' 133' ' ' SEP . 35.7 ttpt -68.7 -65.7 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.968 174.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 137' ' ' ILE . . . . . 0.436 HG13 ' N ' ' C' ' 138' ' ' LEU . 41.5 pt -85.71 -46.99 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.625 ' HB3' ' O ' ' C' ' 134' ' ' TYR . 1.8 tp -58.36 -42.03 86.04 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.998 0.428 . . . . 0.0 111.091 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.32 -50.96 61.85 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.87 -0.519 . . . . 0.0 111.658 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.28 -50.23 61.19 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.544 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 53.1 tp -62.55 -39.75 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.874 -172.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.56 -21.3 64.55 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 89.1 p -58.56 -33.82 70.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.137 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 16.6 t70 169.17 92.63 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -37.1 109.03 0.43 Allowed Pre-proline 0 N--CA 1.475 0.814 0 O-C-N 123.717 0.636 . . . . 0.0 110.73 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -49.41 127.95 19.28 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.787 2.991 . . . . 0.0 114.478 -166.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.05 -94.16 0.12 Allowed Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.22 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 37.6 t 67.45 85.55 0.15 Allowed Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 121.726 0.774 . . . . 0.0 109.997 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 C--O 1.249 1.027 0 C-N-CA 123.35 2.7 . . . . 0.0 111.555 178.651 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 5.4 m -98.9 106.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.256 0.551 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -142.09 107.1 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.176 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -163.47 96.11 0.85 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.721 173.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -159.82 48.03 0.4 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.914 -173.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -38.87 80.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.209 0.528 . . . . 0.0 109.616 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -75.56 5.51 5.89 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -54.25 -13.42 0.86 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -84.23 -5.49 59.26 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.208 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.5 HG13 HD23 ' A' ' 599' ' ' LEU . 34.6 t -86.3 134.89 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -96.79 167.97 10.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -61.02 -38.31 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.86 -46.02 85.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.679 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.5 HD23 HG13 ' A' ' 595' ' ' VAL . 44.8 tp -55.0 -46.71 75.18 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 110.422 178.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 604' ' ' VAL . 48.4 mtm105 -62.46 -43.49 98.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.251 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 30.8 m -58.38 -40.09 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -64.05 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 653' ' ' LEU . 17.3 mt -64.35 -42.05 96.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.343 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.5 t -62.63 -42.88 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.885 0.374 . . . . 0.0 110.392 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -62.15 -40.97 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.53 -38.89 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.65 175.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -47.68 84.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.897 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.14 -46.11 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.279 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -55.05 -37.69 67.05 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.026 0.441 . . . . 0.0 110.497 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.17 -38.71 77.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.599 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.4 mt -86.99 -38.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -127.68 108.18 20.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.181 -176.004 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.4 Cg_endo -62.8 -41.56 29.67 Favored 'Trans proline' 0 N--CA 1.473 0.266 0 C-N-CA 122.768 2.312 . . . . 0.0 112.585 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.1 t -160.65 107.25 1.32 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.81 143.23 23.34 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 111.991 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -83.25 162.55 53.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.421 ' HA ' HD12 ' A' ' 620' ' ' LEU . 48.5 Cg_exo -53.5 -39.15 83.29 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.234 1.956 . . . . 0.0 113.044 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.24 57.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -42.39 63.28 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.432 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.9 mt -65.88 -28.99 69.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.925 -173.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.477 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -91.38 0.47 57.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.905 0.384 . . . . 0.0 111.259 -179.406 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 11.7 t70 -96.56 148.61 22.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.514 -172.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.13 -36.85 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.427 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.82 -47.03 74.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.898 0.38 . . . . 0.0 110.173 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.433 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.8 tpt -65.41 -41.85 93.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.746 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 40.5 mt-10 -58.96 -41.04 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.61 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -63.69 -39.29 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.155 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.21 -46.9 87.22 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.281 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 625' ' ' MET . 3.2 t -64.08 -38.39 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.512 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.02 -40.74 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.922 0.391 . . . . 0.0 110.239 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.78 94.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.229 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.77 -46.7 84.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.105 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 34.8 mmtp -63.19 -46.88 85.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.975 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.28 -43.11 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.522 ' HA ' ' CE ' ' A' ' 639' ' ' MET . 1.5 tm-20 -55.55 -39.83 71.12 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.84 -44.68 97.09 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.774 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.9 -42.89 84.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 110.82 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.522 ' CE ' ' HA ' ' A' ' 636' ' ' GLU . 67.9 mtm -64.27 -41.47 96.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.159 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.28 -42.98 87.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.184 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.3 -40.75 81.66 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.5 p -89.05 -21.75 23.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 -63.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 74.3 -29.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.035 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.3 m -132.53 158.45 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.973 -0.455 . . . . 0.0 109.931 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.01 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 0.0 110.75 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -64.16 -40.81 96.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.642 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.55 -37.71 79.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.338 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.533 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 1.0 OUTLIER -59.27 -50.09 75.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.387 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.712 ' HE2' HD12 ' C' ' 138' ' ' LEU . 67.8 t80 -65.28 -39.46 92.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.189 177.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -56.25 -45.24 80.12 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.7 -39.07 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 603' ' ' LEU . 96.5 mt -62.83 -40.67 98.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.419 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' C' ' 134' ' ' TYR . . . -62.96 -49.35 75.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.625 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.78 -38.63 91.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 5.3 tmtm? -64.02 -48.23 77.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 34.0 pt -65.35 -40.07 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.979 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.8 -38.1 89.85 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 121.955 -0.466 . . . . 0.0 111.079 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -56.53 -44.39 80.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.775 HG12 HD12 ' B' ' 845' ' ' LEU . 7.6 mt -63.46 -48.47 86.93 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.395 0.617 . . . . 0.0 109.553 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -54.2 -42.51 69.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.045 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -64.36 -41.63 96.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 32.1 tp10 -65.01 -42.76 94.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.996 0.426 . . . . 0.0 110.447 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.5 -42.17 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.177 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.0 tp10 -64.44 -43.01 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.252 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.1 OUTLIER -62.87 -39.9 95.87 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.177 -179.578 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -61.47 -40.09 93.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.867 0.365 . . . . 0.0 110.494 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.548 ' O ' ' HG3' ' A' ' 671' ' ' ARG . 44.4 ttm180 -67.63 -34.34 76.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 77.6 mtp180 -69.9 -13.8 62.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.341 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 8.0 t -78.3 15.95 0.87 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.2 -177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 668' ' ' ARG . 21.6 mtm180 -65.5 173.36 2.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 173.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.755 -179.721 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 53.07 25.09 3.88 Favored 'General case' 0 C--N 1.335 -0.054 0 CA-C-N 115.078 -0.964 . . . . 0.0 112.541 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 55.36 73.41 0.43 Allowed Glycine 0 CA--C 1.503 -0.704 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.215 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -78.38 -73.9 0.3 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -175.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 9.2 mt -94.68 147.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.137 0.494 . . . . 0.0 111.009 -172.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.775 HD12 HG12 ' A' ' 660' ' ' ILE . 0.0 OUTLIER -103.14 165.44 13.6 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.045 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.17 139.78 33.01 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.525 2.15 . . . . 0.0 111.453 173.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 17.0 p -54.81 -38.25 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.793 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.59 -43.9 72.55 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.259 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.9 mm -64.66 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.292 0.568 . . . . 0.0 109.768 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 31.4 mmt -64.86 -40.29 94.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -58.3 -39.27 78.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.381 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.12 -48.85 74.49 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.262 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.72 -38.58 82.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.96 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 110.768 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.25 -39.64 74.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.959 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -101.65 128.13 48.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.807 0.337 . . . . 0.0 110.733 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 29.8 m -104.42 120.18 51.44 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.044 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.251 1.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.406 178.796 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.1 m -63.84 -30.79 71.84 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.927 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.9 -52.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.885 0.374 . . . . 0.0 110.179 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 65.9 p -73.55 3.7 5.86 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.74 -41.5 74.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.684 0.278 . . . . 0.0 110.448 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 17.4 m -57.72 -47.78 81.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.555 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.41 -47.43 76.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.565 0.698 . . . . 0.0 110.212 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -62.82 -40.89 98.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.872 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.576 ' O ' HG12 ' C' ' 127' ' ' ILE . 3.1 tpp180 -62.3 -45.8 91.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.881 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -62.03 -39.93 93.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.969 -175.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.01 -40.41 73.34 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.454 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.694 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 3.6 pt -63.45 -37.91 80.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.587 HD12 ' CD1' ' C' ' 134' ' ' TYR . 1.6 mm? -68.49 -42.54 78.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.137 -175.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.7 m -55.44 -40.22 71.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.173 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.51 49.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 109.964 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.694 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.13 101.1 52.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.906 177.466 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.478 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 58.0 Cg_exo -53.91 -41.22 76.69 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.173 2.582 . . . . 0.0 112.663 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.607 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 91.2 t80 -62.5 -44.62 95.92 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.624 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -57.9 -42.68 85.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.749 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 29.1 mtpp -61.23 -55.21 34.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.23 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.7 pt -66.76 -32.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.712 HD12 ' HE2' ' A' ' 650' ' ' TYR . 11.3 tp -62.91 -42.51 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.233 0.54 . . . . 0.0 111.049 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -66.7 -52.51 43.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.62 -51.36 51.12 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.665 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 33.8 tp -60.03 -40.13 88.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.901 -173.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.44 -15.1 63.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.989 0.423 . . . . 0.0 111.745 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 13.6 m -105.29 44.69 1.01 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.089 -173.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 33.4 t70 176.38 73.25 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.952 0.501 . . . . 0.0 110.394 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -139.17 93.11 10.38 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.5 126.15 15.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 121.848 1.699 . . . . 0.0 112.568 -177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.434 ' HA3' HD13 ' A' ' 599' ' ' LEU . . . -140.95 53.61 0.66 Allowed Glycine 0 C--O 1.235 0.185 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.308 170.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 12.5 t -151.9 113.52 2.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 122.895 2.396 . . . . 0.0 112.112 177.214 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.428 0 CA-C-O 120.124 -0.264 . . . . 0.0 113.1 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 6.3 m -84.62 104.04 12.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-N 117.589 0.695 . . . . 0.0 110.763 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 588' ' ' ARG . 10.8 mmm180 -122.34 36.92 4.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.477 0.656 . . . . 0.0 110.06 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -137.19 99.46 3.99 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' GLY . . . . . 0.544 ' HA2' ' OE1' ' A' ' 593' ' ' GLU . . . -52.5 -41.64 56.33 Favored Glycine 0 N--CA 1.453 -0.198 0 O-C-N 124.05 0.844 . . . . 0.0 112.892 -175.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.404 ' HB2' ' O ' ' A' ' 644' ' ' ASN . 0.7 OUTLIER -50.39 -46.15 55.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 122.774 0.43 . . . . 0.0 111.871 176.33 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.508 ' NE2' ' HA ' ' A' ' 644' ' ' ASN . 64.3 m-70 -78.4 -3.01 41.09 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -175.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.544 ' OE1' ' HA2' ' A' ' 590' ' ' GLY . 45.8 mt-10 -77.37 -20.45 54.74 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.939 -171.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -89.57 -2.12 58.24 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.516 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.84 122.72 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.932 -0.48 . . . . 0.0 110.176 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -103.14 167.44 9.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.873 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -59.86 -39.53 85.52 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -49.93 70.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.54 HD12 ' O ' ' C' ' 146' ' ' PRO . 32.9 tp -55.56 -46.08 77.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.034 0.445 . . . . 0.0 110.317 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.588 ' O ' HG23 ' A' ' 604' ' ' VAL . 43.7 ttp180 -58.84 -46.76 86.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.9 m -57.61 -38.55 75.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.457 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.748 0.308 . . . . 0.0 110.306 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.12 -41.31 95.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.281 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -62.74 -40.27 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.864 177.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -59.48 -40.16 86.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.276 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -61.4 -37.17 82.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.16 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 607' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.2 OUTLIER -55.11 -44.45 74.97 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.421 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 608' ' ' VAL . . . . . 0.474 HG21 HG13 ' A' ' 629' ' ' VAL . 52.8 t -64.83 -46.14 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.894 0.378 . . . . 0.0 111.429 176.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -55.72 -38.29 69.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.04 86.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.761 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 607' ' ' LEU . 31.6 mt -82.87 -36.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.437 -175.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.28 99.24 6.51 Favored Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.57 -41.42 48.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 112.96 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.5 t -157.81 104.59 1.77 Allowed Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.155 0.502 . . . . 0.0 111.689 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.432 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 1.7 Cg_endo -83.9 145.78 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 171.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -81.46 166.4 38.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.135 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 620' ' ' LEU . 75.8 Cg_exo -47.74 -34.79 22.13 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.717 2.278 . . . . 0.0 113.903 -177.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.94 -27.52 28.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.934 -0.479 . . . . 0.0 110.837 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.96 65.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.548 . . . . 0.0 110.14 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.4 mt -59.24 -37.36 77.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.064 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -94.99 16.8 15.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.63 154.12 17.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -55.35 -38.72 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.233 0.333 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' B' ' 852' ' ' PHE . 9.9 tpp180 -58.4 -40.37 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.003 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.9 tpt -66.02 -44.83 83.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.589 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -63.56 -43.93 95.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -61.0 -39.51 89.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.876 175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 41.9 tp -60.25 -49.83 76.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 625' ' ' MET . 2.5 t -65.63 -40.16 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.549 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.491 0.662 . . . . 0.0 110.099 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.69 -39.87 81.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.406 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.92 93.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.448 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.569 ' HD2' ' H ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -65.44 -40.91 93.83 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.842 0.353 . . . . 0.0 110.437 178.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.81 -49.67 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.547 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' B' ' 843' ' ' ASN . 70.2 t -57.51 -46.45 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 173.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.4 -40.03 70.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.737 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.52 -49.16 75.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.165 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.25 -39.82 86.2 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 122.157 0.979 . . . . 0.0 109.554 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 11.3 ttp -65.98 -50.55 63.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.511 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -58.73 -39.46 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.7 mt-10 -66.34 -40.03 89.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.9 m -83.25 -25.59 31.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.628 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.97 5.93 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.527 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' ASN . . . . . 0.508 ' HA ' ' NE2' ' A' ' 592' ' ' HIS . 3.9 t-20 69.27 -18.68 0.19 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.71 178.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.6 m -148.29 167.48 25.06 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.834 -0.541 . . . . 0.0 110.825 -175.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -64.83 -50.27 67.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.747 0.308 . . . . 0.0 111.777 -175.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.98 -46.51 90.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.627 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.5 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.182 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.2 t80 -58.13 -51.03 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.076 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 1.074 ' HE1' HD12 ' C' ' 138' ' ' LEU . 57.9 t80 -65.2 -42.07 93.92 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 11.4 t-160 -58.19 -46.59 85.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.055 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.09 -39.84 93.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.449 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.614 ' O ' HG12 ' A' ' 657' ' ' ILE . 41.7 mt -59.69 -47.21 86.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.292 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.21 97.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.405 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.722 ' OE1' HD11 ' C' ' 128' ' ' LEU . 50.6 mm-40 -64.5 -49.42 71.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.85 -48.0 70.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.31 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 653' ' ' LEU . 39.7 pt -64.47 -40.68 89.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.189 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -65.64 -41.07 93.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 117.966 0.348 . . . . 0.0 110.669 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -56.02 -51.13 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.793 HD13 HD12 ' B' ' 845' ' ' LEU . 20.6 mt -69.55 -43.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.233 0.539 . . . . 0.0 110.361 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -53.88 -45.35 71.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.789 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -62.67 -40.93 98.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.379 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.86 -43.89 97.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.334 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.478 HD21 ' SD ' ' B' ' 850' ' ' MET . 81.8 mt -63.02 -39.92 96.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.663 176.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 15.1 tp10 -64.13 -50.74 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.208 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -39.25 93.98 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.045 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -64.31 -40.2 95.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -78.07 -30.92 49.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 21.8 mmm180 -73.56 -31.31 63.56 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.456 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 20.7 t -100.8 2.02 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -37.01 106.95 0.05 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.204 1.002 . . . . 0.0 112.603 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.063 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 . . . . . 0 C--O 1.236 0.371 0 CA-C-O 120.909 0.385 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -85.8 -12.58 50.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 96.15 132.39 7.14 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.846 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.455 ' HA ' HG22 ' A' ' 635' ' ' VAL . 0.9 OUTLIER -87.92 8.84 24.33 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.63 -0.335 . . . . 0.0 111.642 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 844' ' ' ILE . . . . . 0.505 ' HA ' HD11 ' A' ' 660' ' ' ILE . 33.0 pt -120.46 152.32 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.793 HD12 HD13 ' A' ' 660' ' ' ILE . 3.5 mt -77.13 131.4 72.72 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.018 0.437 . . . . 0.0 111.731 -168.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.15 168.14 22.28 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.11 2.54 . . . . 0.0 113.087 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.04 -43.55 73.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.11 -49.83 68.25 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 28.8 mm -66.47 -40.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.478 ' SD ' HD21 ' A' ' 664' ' ' LEU . 6.1 mmt -64.97 -40.98 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.141 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.88 -38.8 76.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.499 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 57.9 t80 -63.2 -43.2 98.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.627 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.471 HG12 ' O ' ' B' ' 850' ' ' MET . 10.2 p -65.9 -38.57 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.808 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.22 -38.46 86.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 110.553 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -63.83 -30.69 71.75 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -93.18 148.47 22.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.942 0.401 . . . . 0.0 110.206 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 32.4 m -150.99 89.57 4.29 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-O 120.896 0.379 . . . . 0.0 111.171 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo . . . . . 0 C--O 1.248 0.998 0 C-N-CA 122.967 2.445 . . . . 0.0 111.486 177.39 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--O 1.227 -0.13 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.6 m -61.7 -30.22 70.61 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.269 175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.43 -49.29 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.317 0.579 . . . . 0.0 110.17 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' THR . . . . . 0.65 ' HA ' ' NE2' ' C' ' 122' ' ' GLN . 58.8 p -80.81 5.09 16.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.469 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.3 -41.43 79.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.477 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 34.9 t -61.23 -45.91 92.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.655 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' GLN . . . . . 0.65 ' NE2' ' HA ' ' C' ' 119' ' ' THR . 1.0 OUTLIER -62.24 -39.97 94.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 0.0 110.484 176.456 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -60.93 -45.59 94.07 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.953 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.662 ' O ' HG12 ' C' ' 127' ' ' ILE . 0.3 OUTLIER -61.73 -41.98 98.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.374 176.47 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -59.11 -40.54 85.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -56.08 -39.23 71.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.974 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.662 HG12 ' O ' ' C' ' 124' ' ' ARG . 1.6 pt -62.76 -38.32 81.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.819 0.342 . . . . 0.0 110.272 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.722 HD11 ' OE1' ' A' ' 655' ' ' GLU . 1.5 mm? -64.65 -41.36 96.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 110.112 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.3 m -56.38 -23.56 38.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.421 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -156.83 73.63 0.77 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.598 ' HB3' ' HB3' ' C' ' 134' ' ' TYR . 14.3 mtp180 -114.68 105.7 53.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 38.0 Cg_exo -62.02 -57.0 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.189 2.593 . . . . 0.0 113.153 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 133' ' ' SEP . . . . . 0.496 ' O3P' ' HB2' ' C' ' 132' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 34.0 t80 -57.68 -47.73 81.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.626 174.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.416 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -58.6 -56.16 25.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 32.4 pt -70.78 -30.71 43.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.052 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 1.074 HD12 ' HE1' ' A' ' 650' ' ' TYR . 6.1 tp -56.42 -45.64 80.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.304 0.378 . . . . 0.0 111.087 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -65.98 -52.56 48.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.88 -53.58 20.37 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.598 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 22.8 tp -56.93 -38.49 72.97 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.573 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 57.7 p -70.91 -16.97 62.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.422 0.629 . . . . 0.0 110.765 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 7.7 m -107.7 44.71 1.06 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.893 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -176.03 53.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.954 -174.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -116.81 95.0 45.59 Favored Pre-proline 0 C--O 1.235 0.297 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 171.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 146' ' ' PRO . . . . . 0.54 ' O ' HD12 ' A' ' 599' ' ' LEU . 31.9 Cg_exo -57.7 155.1 33.52 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.604 2.203 . . . . 0.0 111.311 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.27 80.54 0.05 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.208 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.53 ' H ' ' HD2' ' C' ' 149' ' ' PRO . 6.1 t -148.01 -61.17 0.02 OUTLIER Pre-proline 0 N--CA 1.469 0.525 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.111 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 149' ' ' PRO . . . . . 0.53 ' HD2' ' H ' ' C' ' 148' ' ' VAL . 42.9 Cg_endo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 121.695 1.596 . . . . 0.0 112.487 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 CA-C-O 119.926 -0.375 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 587' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 588' ' ' ARG . 21.7 t -58.69 91.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.129 0.49 . . . . 0.0 110.841 175.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 587' ' ' VAL . 17.9 mmm180 -170.6 -45.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.325 -175.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -155.33 77.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.691 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -94.24 1.72 67.55 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.912 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -50.34 -56.46 11.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.139 0.495 . . . . 0.0 110.708 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -81.92 3.48 26.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.771 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -83.77 -34.66 24.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.515 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -88.73 -11.09 46.08 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.454 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 42.6 t -110.48 120.75 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 74.5 p -102.64 155.06 18.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.205 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.17 -37.39 74.61 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.904 0.383 . . . . 0.0 110.074 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ASP . . . . . 0.593 ' OD2' ' HA2' ' C' ' 147' ' ' GLY . 20.4 t70 -57.25 -48.96 77.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.6 -41.94 82.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.413 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 604' ' ' VAL . 52.0 ttt180 -64.15 -48.53 75.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.3 m -56.97 -40.63 76.86 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -61.88 -39.81 93.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.59 -45.0 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.48 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -60.28 -40.95 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.701 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 25.8 m80 -59.61 -42.47 92.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.248 176.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -63.09 -38.3 90.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -46.78 76.96 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.17 -48.22 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.498 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 14.6 mm100 -57.7 -39.46 77.22 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.033 0.444 . . . . 0.0 111.274 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.61 86.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 56.5 mt -82.82 -36.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.082 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.461 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -127.3 99.16 28.18 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.477 -176.658 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 19.7 Cg_endo -56.02 -38.61 94.48 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.934 2.423 . . . . 0.0 112.818 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 614' ' ' THR . . . . . 0.478 ' O ' ' HG3' ' B' ' 858' ' ' PRO . 4.5 t -161.19 95.57 1.38 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.369 0.604 . . . . 0.0 111.086 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.56 137.05 62.03 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.567 2.178 . . . . 0.0 111.64 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' ASP . . . . . 0.506 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.3 p30 -84.92 162.33 50.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.878 -178.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.6 Cg_endo -45.95 -44.91 18.22 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.0 2.467 . . . . 0.0 113.455 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.33 56.92 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.51 -42.76 61.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.218 0.532 . . . . 0.0 109.943 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.5 mt -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.675 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -93.5 3.9 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.171 -179.726 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -96.8 137.08 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.395 0.617 . . . . 0.0 111.172 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 623' ' ' ARG . 3.9 ptp180 -63.54 -37.21 86.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.831 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -63.91 -40.28 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -65.96 -40.15 91.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.133 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -54.17 -39.92 67.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -55.7 -38.59 69.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.332 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.68 -44.96 94.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.792 0.33 . . . . 0.0 110.314 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.3 -38.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.219 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.3 93.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.224 0.535 . . . . 0.0 110.028 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -65.4 -40.51 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.22 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.54 94.4 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.194 0.521 . . . . 0.0 109.849 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.69 -47.55 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.006 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.1 -45.28 95.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.303 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.77 -44.24 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -55.81 -39.27 71.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.07 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.45 -43.61 90.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.276 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.18 -39.59 94.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.94 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 23.9 mmt -65.09 -50.4 66.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.402 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.09 -44.65 97.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.872 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.73 -40.41 88.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 8.2 t -87.2 -30.97 20.59 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.559 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -63.5 -69.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 t30 60.93 6.69 1.27 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.036 0.534 . . . . 0.0 112.076 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.2 m -147.09 151.04 36.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 646' ' ' ARG . 46.8 mtm105 -65.01 -48.27 74.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 111.509 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.68 -49.09 79.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.447 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.89 -36.74 85.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.739 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.446 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.1 t80 -56.1 -51.24 68.61 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.955 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.664 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 88.0 t80 -66.42 -42.59 87.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 110.593 175.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -59.02 -42.66 90.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.593 -175.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.67 -43.62 92.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.678 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.438 ' O ' HG12 ' A' ' 657' ' ' ILE . 55.2 mt -65.19 -41.22 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.58 81.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.979 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.17 -41.01 95.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -65.33 -48.47 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.362 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.1 pt -64.38 -38.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.144 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.18 -44.85 90.75 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.182 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 1.3 tmtp? -55.33 -50.53 69.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.797 HD13 HD12 ' B' ' 845' ' ' LEU . 21.1 mt -69.12 -45.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.979 0.418 . . . . 0.0 110.396 -177.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -54.27 -48.87 70.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.47 -40.34 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 0.0 110.206 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 35.4 tt0 -64.85 -40.36 95.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.031 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.715 HD21 ' SD ' ' B' ' 850' ' ' MET . 99.1 mt -58.67 -46.01 88.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.454 176.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.27 -40.78 94.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.922 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.51 -39.53 93.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.486 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.04 -40.27 94.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -179.035 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -73.45 -26.85 61.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.41 0.624 . . . . 0.0 109.776 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 669' ' ' ARG . 40.7 ttm180 -81.0 -15.56 55.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.097 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 25.5 t -70.15 -2.01 11.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.792 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.09 162.38 4.4 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 111.391 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.403 HD22 ' C ' ' A' ' 672' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.44 0.638 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -106.09 89.1 2.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.259 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.24 77.19 0.96 Allowed Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.899 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -119.09 -111.46 0.34 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 44.7 pt -86.26 151.03 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.797 HD12 HD13 ' A' ' 660' ' ' ILE . 3.6 mt -78.51 119.06 75.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -168.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -78.91 178.14 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.766 2.311 . . . . 0.0 111.928 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 29.4 t -55.97 -48.72 75.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.793 -173.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -54.66 -49.85 69.61 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.35 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.234 0.54 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.715 ' SD ' HD21 ' A' ' 664' ' ' LEU . 10.5 mmt -65.5 -37.0 85.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.481 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.65 -38.41 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.19 -50.0 74.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.317 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 850' ' ' MET . 8.5 p -66.38 -38.41 81.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 120.741 0.305 . . . . 0.0 111.422 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.22 -39.71 94.54 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.6 0.238 . . . . 0.0 110.799 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -78.3 -51.79 9.6 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.612 0.244 . . . . 0.0 111.33 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -93.91 126.87 39.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.002 0.43 . . . . 0.0 110.402 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 39.2 m -154.5 128.29 4.49 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.478 ' HG3' ' O ' ' A' ' 614' ' ' THR . 17.3 Cg_endo . . . . . 0 C--O 1.25 1.093 0 C-N-CA 122.97 2.446 . . . . 0.0 112.035 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.579 0.228 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.0 m -63.11 -28.74 70.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.908 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.86 -46.8 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.125 0.488 . . . . 0.0 110.034 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 44.4 p -74.61 -6.31 47.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.412 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.3 -41.94 80.82 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 173.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 46.7 t -57.12 -46.4 82.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.488 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' GLN . . . . . 0.476 ' HG2' ' NH2' ' C' ' 125' ' ' ARG . 34.7 mt-30 -63.18 -41.33 99.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.359 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -58.68 -49.65 76.78 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.336 0.589 . . . . 0.0 110.549 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 124' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.93 -41.93 97.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.123 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 125' ' ' ARG . . . . . 0.476 ' NH2' ' HG2' ' C' ' 122' ' ' GLN . 58.9 ttp180 -60.03 -39.89 87.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.449 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.23 -38.6 71.3 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -175.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.61 HG12 HD22 ' C' ' 128' ' ' LEU . 0.7 OUTLIER -61.73 -36.93 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.61 HD22 HG12 ' C' ' 127' ' ' ILE . 2.6 mm? -67.71 -42.71 81.52 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.828 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.8 t -68.14 -17.31 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.527 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 130' ' ' ARG . . . . . 0.58 ' O ' ' HD3' ' C' ' 132' ' ' PRO . 3.4 tpm_? -115.08 68.14 0.7 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.554 ' HB2' ' HB3' ' C' ' 134' ' ' TYR . 24.8 ptt180 -109.52 97.02 25.18 Favored Pre-proline 0 N--CA 1.445 -0.689 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.387 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.672 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 1.0 OUTLIER -87.43 -74.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 122.761 2.307 . . . . 0.0 110.114 168.345 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 133' ' ' SEP . . . . . 0.464 ' HA ' ' CG ' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.554 ' HB3' ' HB2' ' C' ' 131' ' ' ARG . 73.3 t80 -63.85 -42.25 97.61 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.171 177.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -53.37 -59.0 5.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 137' ' ' ILE . . . . . 0.453 HG12 ' O ' ' C' ' 133' ' ' SEP . 21.6 pt -69.21 -37.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.351 -177.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.576 HD12 ' CE2' ' A' ' 650' ' ' TYR . 13.3 tp -60.94 -45.79 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 -178.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.6 -50.87 63.47 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.042 -0.411 . . . . 0.0 111.381 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.84 -51.79 51.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 20.9 tp -62.63 -39.16 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.862 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.664 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 78.8 p -76.69 -17.26 59.22 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 111.297 -175.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 143' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' C' ' 144' ' ' ASP . 2.3 t -89.77 22.91 2.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.425 -171.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 144' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' C' ' 143' ' ' SER . 37.7 t70 172.87 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -117.67 91.41 38.46 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.91 125.52 16.73 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.015 1.81 . . . . 0.0 112.17 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.593 ' HA2' ' OD2' ' A' ' 598' ' ' ASP . . . -154.12 61.95 0.37 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.75 176.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.565 ' HB ' ' HD3' ' C' ' 149' ' ' PRO . 5.1 t -158.54 -59.9 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -174.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 149' ' ' PRO . . . . . 0.565 ' HD3' ' HB ' ' C' ' 148' ' ' VAL . 93.2 Cg_endo . . . . . 0 C--O 1.252 1.224 0 C-N-CA 122.018 1.812 . . . . 0.0 112.066 174.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.249 0 CA-C-O 120.318 -0.157 . . . . 0.0 112.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.42 102.96 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 120.979 0.419 . . . . 0.0 110.356 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.26 3.47 4.13 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.474 -177.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -142.94 72.75 1.38 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.21 0.528 . . . . 0.0 109.948 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -76.09 -9.73 85.39 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.387 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -52.07 -45.3 64.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.744 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -69.62 -6.56 32.07 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.102 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.5 -25.75 28.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 0.0 110.303 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -100.73 5.47 43.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.049 0.452 . . . . 0.0 110.105 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.0 t -122.34 124.49 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.4 p -100.89 159.99 14.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.747 0.308 . . . . 0.0 111.353 -175.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -62.91 -38.73 92.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.53 -43.83 80.23 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.635 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.76 -46.11 77.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.909 0.385 . . . . 0.0 110.225 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.629 ' O ' HG23 ' A' ' 604' ' ' VAL . 44.5 mtm180 -62.83 -41.21 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.686 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.8 m -56.63 -41.75 77.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.22 0.533 . . . . 0.0 110.747 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.401 ' HD2' ' C ' ' C' ' 147' ' ' GLY . 33.7 m80 -65.56 -40.33 92.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.29 -43.54 90.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.648 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.8 t -59.69 -40.73 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.61 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.499 ' HB2' ' HA3' ' C' ' 147' ' ' GLY . 26.2 m80 -61.71 -40.7 95.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.595 176.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.722 ' HD2' ' HA ' ' C' ' 145' ' ' ALA . 46.7 mtpt -63.64 -39.5 94.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 176.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.79 -47.99 80.98 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.795 176.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.53 -47.21 93.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 605' ' ' HIS . 95.3 mt-30 -56.32 -38.66 71.61 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.032 0.444 . . . . 0.0 111.363 -177.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.66 79.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.743 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.417 HD13 HD11 ' B' ' 845' ' ' LEU . 50.9 mt -89.51 -35.0 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.519 -176.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.91 99.66 41.13 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.028 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.524 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 59.4 Cg_endo -70.4 -42.15 2.95 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 122.392 2.061 . . . . 0.0 113.222 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 41.6 p -105.66 86.28 1.76 Allowed Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 41.6 Cg_exo -59.04 150.06 75.62 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.002 1.802 . . . . 0.0 112.287 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -137.86 126.99 14.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.152 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.469 ' HA ' HD12 ' A' ' 620' ' ' LEU . 12.2 Cg_endo -56.71 -33.36 93.63 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.572 2.848 . . . . 0.0 113.774 -174.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.85 -19.25 24.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.718 0.294 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 625' ' ' MET . . . -73.37 -37.29 66.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.516 0.674 . . . . 0.0 109.872 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.3 mt -63.59 -20.5 65.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.542 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -100.17 7.82 44.28 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -95.94 145.26 25.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -58.73 -40.67 84.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -65.93 -50.67 63.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 111.148 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 619' ' ' ALA . 0.9 OUTLIER -66.21 -40.05 90.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.028 -179.199 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.65 -40.71 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.616 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.27 -37.77 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.028 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.85 -44.22 93.8 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.394 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.01 -37.32 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.101 0.477 . . . . 0.0 109.901 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.72 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.429 0.633 . . . . 0.0 109.555 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.454 ' CZ ' ' HA2' ' B' ' 842' ' ' GLY . 23.9 t80 -62.28 -41.75 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.727 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.47 98.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 633' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 633' ' ' LYS . 4.2 tmtm? -64.35 -42.77 96.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.085 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 634' ' ' LYS . . . . . 0.433 ' HZ2' ' HA ' ' A' ' 631' ' ' TYR . 10.0 mtmp? -64.25 -42.84 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.56 -48.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.15 -42.62 86.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.22 -40.39 96.68 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.63 -46.44 87.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.651 0.262 . . . . 0.0 110.549 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.15 -40.48 94.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -55.56 -39.89 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.586 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.0 -42.28 94.61 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.682 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 15.1 m -90.01 -25.86 20.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.188 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.69 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.127 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 46.16 23.6 0.21 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.85 0.86 . . . . 0.0 112.9 -174.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 16.5 m -157.06 154.41 29.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -65.32 -51.15 62.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 0.0 111.626 -175.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.01 -40.7 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.312 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.06 -38.22 90.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -62.7 -50.04 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.856 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.515 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 75.8 t80 -64.93 -41.46 95.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -64.35 -39.54 94.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.354 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.77 -39.5 94.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.649 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 41.2 mt -63.19 -40.95 98.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.783 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.34 97.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.264 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.59 -49.56 72.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 29.9 ttmt -67.11 -40.51 86.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.507 -173.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -61.3 -40.94 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.885 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -65.93 -38.63 89.16 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 122.317 -0.239 . . . . 0.0 110.945 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.32 -50.21 70.18 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.31 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' B' ' 845' ' ' LEU . 69.0 mt -65.44 -49.38 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.987 0.422 . . . . 0.0 110.388 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.512 ' HA ' HD12 ' A' ' 664' ' ' LEU . 40.9 tt0 -55.02 -40.45 70.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.211 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.4 -47.87 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.157 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 28.9 tt0 -65.24 -38.51 90.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.775 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 661' ' ' GLN . 95.2 mt -54.48 -40.72 68.75 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.478 177.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.1 -49.24 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 1.0 OUTLIER -65.67 -43.24 89.92 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.662 -175.251 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.642 ' HE3' ' SD ' ' B' ' 850' ' ' MET . 1.1 ptpm? -64.85 -40.35 95.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.048 0.451 . . . . 0.0 110.44 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -72.86 -22.26 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.28 0.562 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -75.84 -28.35 58.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.35 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 31.1 t -100.91 -12.83 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.734 0.302 . . . . 0.0 111.015 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -168.67 72.03 0.09 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.332 0.587 . . . . 0.0 110.626 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 672' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.238 -0.887 . . . . 0.0 112.045 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 121.008 0.433 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -75.55 -19.66 59.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.986 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 842' ' ' GLY . . . . . 0.454 ' HA2' ' CZ ' ' A' ' 631' ' ' TYR . . . 143.29 77.07 0.04 OUTLIER Glycine 0 N--CA 1.434 -1.461 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.607 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -110.54 -70.17 0.83 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.77 146.05 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.478 ' HA ' ' HD3' ' B' ' 846' ' ' PRO . 3.7 mt -77.34 124.24 86.96 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.857 0.36 . . . . 0.0 111.294 -173.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 20.2 Cg_exo -65.94 169.22 13.73 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.024 2.483 . . . . 0.0 112.625 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.5 p -55.48 -40.79 72.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.678 0.275 . . . . 0.0 111.46 -176.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.67 -51.88 61.76 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.797 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.4 mm -67.45 -43.47 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.228 0.537 . . . . 0.0 110.927 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.642 ' SD ' ' HE3' ' A' ' 667' ' ' LYS . 3.6 mmt -64.56 -46.85 81.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.683 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.42 -39.98 81.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.589 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -64.64 -49.71 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.193 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.3 -38.97 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.252 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.0 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.93 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -91.59 34.9 0.96 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.252 0.548 . . . . 0.0 110.885 -175.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -93.56 166.94 12.0 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 12.4 m -109.92 98.71 35.51 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 172.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 122.753 2.302 . . . . 0.0 111.934 -179.793 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.228 0.537 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.5 m -64.46 -31.41 72.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.332 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 88.5 t -52.05 -50.64 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.942 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 35.8 p -78.67 26.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.64 -39.84 74.39 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -58.02 -45.4 86.99 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.878 -0.146 . . . . 0.0 111.217 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -64.0 -42.02 97.3 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.797 0.332 . . . . 0.0 110.39 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.457 ' O ' HG23 ' C' ' 127' ' ' ILE . 35.1 mmtm -62.16 -41.8 98.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.988 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.59 ' O ' HG12 ' C' ' 127' ' ' ILE . 28.7 ttm180 -59.67 -43.48 93.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.019 176.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -60.74 -41.72 95.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.267 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.16 -41.23 92.37 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.021 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.633 ' O ' ' HG3' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -64.63 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.0 109.894 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.536 HD22 HG12 ' C' ' 127' ' ' ILE . 0.8 OUTLIER -67.8 -38.29 83.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.146 -177.518 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 33.9 t -53.64 -34.0 57.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.186 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 130' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 130' ' ' ARG . 43.2 ttm180 -164.95 85.65 0.41 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 112.164 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' C' ' 127' ' ' ILE . 5.9 mtp180 -113.51 124.7 30.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 166.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.51 -37.92 43.26 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.154 2.569 . . . . 0.0 112.842 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' C' ' 138' ' ' LEU . 12.2 t80 -58.01 -47.26 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.544 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.49 -41.17 93.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.66 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -57.16 -59.59 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.351 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 137' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 27.4 pt -66.97 -38.42 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.343 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' C' ' 134' ' ' TYR . 10.5 tp -57.22 -47.16 82.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.393 0.616 . . . . 0.0 111.686 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -56.71 -49.13 76.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.492 -176.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.35 -48.05 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.449 0.642 . . . . 0.0 111.104 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.515 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 11.2 tp -57.19 -42.18 80.75 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.61 -1.177 . . . . 0.0 112.838 -171.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 6.8 p -68.9 -30.21 68.64 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -174.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 6.6 m -110.07 50.26 0.81 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.724 0.297 . . . . 0.0 110.228 -173.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 144' ' ' ASP . . . . . 0.615 ' O ' ' HD3' ' C' ' 146' ' ' PRO . 27.1 t70 170.67 83.14 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.432 -173.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.722 ' HA ' ' HD2' ' A' ' 606' ' ' LYS . . . -105.69 75.02 0.31 Allowed Pre-proline 0 CA--C 1.559 1.295 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 146' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' C' ' 144' ' ' ASP . 3.6 Cg_exo -72.48 158.92 50.3 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 124.621 3.548 . . . . 0.0 113.605 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.499 ' HA3' ' HB2' ' A' ' 605' ' ' HIS . . . 134.78 81.96 0.16 Allowed Glycine 0 C--N 1.341 0.861 0 C-N-CA 119.963 -1.113 . . . . 0.0 114.037 171.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 2.3 t -105.03 -53.98 0.1 OUTLIER Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -169.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo . . . . . 0 C--O 1.247 0.974 0 C-N-CA 122.436 2.09 . . . . 0.0 112.853 -175.389 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.387 0 N-CA-C 111.889 -0.485 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.71 138.42 23.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.289 0.566 . . . . 0.0 111.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.0 52.84 1.03 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 172.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -143.02 86.08 1.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.773 -172.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -50.2 -43.75 42.64 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.972 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -57.37 -34.45 68.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -70.29 -25.19 63.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.765 0.317 . . . . 0.0 110.517 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.8 -19.25 59.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.287 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -84.45 3.64 35.29 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.857 0.361 . . . . 0.0 110.803 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 60.8 t -127.94 125.06 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.3 p -99.0 154.22 18.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.157 0.504 . . . . 0.0 111.739 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -63.32 -36.82 84.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.372 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -55.9 -40.81 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.039 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' C' ' 145' ' ' ALA . 61.2 tp -57.54 -49.66 75.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.851 176.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.614 ' O ' HG23 ' A' ' 604' ' ' VAL . 56.0 mtm180 -62.9 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 20.0 m -57.97 -40.8 81.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.795 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.48 ' CE1' ' HA3' ' C' ' 147' ' ' GLY . 24.1 m80 -65.55 -40.79 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.488 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' A' ' 606' ' ' LYS . 17.7 mt -65.45 -48.03 74.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.218 -176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -58.59 -40.65 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.066 0.46 . . . . 0.0 110.173 177.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 20.0 t-80 -62.07 -41.33 98.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.425 ' HD2' HD23 ' A' ' 603' ' ' LEU . 68.2 mttm -59.61 -39.99 86.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.677 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -46.11 90.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.895 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.94 -47.36 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.385 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.3 mm100 -55.5 -37.39 67.8 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.082 0.467 . . . . 0.0 110.898 -177.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.27 71.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.5 mt -90.33 -39.63 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.206 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -124.09 102.83 33.79 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 613' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.9 Cg_endo -64.05 -36.02 50.73 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 122.603 2.202 . . . . 0.0 113.321 -176.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.4 t -141.69 105.38 5.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 121.405 0.621 . . . . 0.0 110.632 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.23 132.61 53.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.237 2.625 . . . . 0.0 113.038 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.23 137.02 20.33 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.532 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.43 ' HA ' HD12 ' A' ' 620' ' ' LEU . 6.8 Cg_endo -47.04 -47.76 16.05 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.074 2.516 . . . . 0.0 113.285 -174.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.27 -25.38 54.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.616 0.246 . . . . 0.0 111.354 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 619' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 625' ' ' MET . . . -72.72 -40.63 65.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.003 0.43 . . . . 0.0 110.109 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.7 mt -58.08 -36.6 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.211 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -93.44 12.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 -177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -98.39 155.34 17.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.52 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 623' ' ' ARG . 2.1 tmt_? -55.2 -38.65 68.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 0.0 110.091 174.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.712 ' HA ' ' OD1' ' A' ' 627' ' ' ASN . 30.4 mmt180 -57.67 -38.69 75.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.964 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.3 tpt -60.25 -43.23 96.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.061 175.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.28 -48.91 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -176.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' ASN . . . . . 0.712 ' OD1' ' HA ' ' A' ' 624' ' ' ARG . 2.2 p-10 -65.37 -38.66 90.73 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.887 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.7 -50.04 75.1 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.531 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 625' ' ' MET . 5.9 t -59.51 -37.4 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.394 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.32 82.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 635' ' ' VAL . 77.4 t80 -57.52 -44.05 84.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.144 175.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.75 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.268 0.556 . . . . 0.0 109.928 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -51.09 67.53 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.18 -45.04 88.24 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.934 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.584 ' O ' ' HG2' ' A' ' 639' ' ' MET . 71.6 t -57.9 -49.18 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.947 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.01 -40.73 77.22 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.955 0.407 . . . . 0.0 110.3 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.99 92.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.398 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.86 -39.72 91.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.812 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.4 mmt -57.09 -50.83 71.58 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -60.67 -39.7 89.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.039 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.31 -39.9 93.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.86 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 30.4 p -94.51 -47.95 6.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -171.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 643' ' ' ALA . . . . . 0.57 ' HA ' ' OE2' ' A' ' 648' ' ' GLU . . . -53.64 -60.94 2.66 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.712 0.405 . . . . 0.0 111.902 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.96 -9.7 0.45 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.701 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.0 m -132.53 147.22 52.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 647' ' ' ASP . 36.6 ptt180 -61.16 -49.56 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 646' ' ' ARG . 10.8 p-10 -63.2 -45.42 91.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.282 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.57 ' OE2' ' HA ' ' A' ' 643' ' ' ALA . 38.1 tt0 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.265 176.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.25 -49.99 75.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.729 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.738 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 83.2 t80 -65.66 -44.45 86.25 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.88 -42.9 76.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.188 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.25 -41.26 94.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.6 -43.44 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.46 86.18 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 121.014 0.435 . . . . 0.0 110.776 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.485 ' OE1' HD21 ' C' ' 128' ' ' LEU . 15.1 tp10 -61.97 -39.79 93.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.183 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -65.71 -47.92 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.871 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -64.05 -39.66 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.958 -175.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 1.229 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 7.0 t80 -64.55 -39.59 94.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.071 0.396 . . . . 0.0 110.708 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 659' ' ' LYS . 0.2 OUTLIER -55.51 -47.07 76.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.332 179.208 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.485 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 71.6 mt -65.8 -50.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 110.106 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.445 ' HA ' HD12 ' A' ' 664' ' ' LEU . 23.6 tp60 -55.01 -48.07 73.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.864 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' LYS . . . . . 1.229 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 56.8 mtpt -64.48 -39.36 93.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.36 . . . . 0.0 110.72 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.48 -40.72 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.057 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 86.5 mt -59.28 -47.38 85.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.573 176.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 33.4 tt0 -67.58 -49.8 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.169 -173.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -56.73 -40.27 75.43 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.483 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 22.0 pttm -64.95 -37.2 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.253 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -74.4 -25.62 59.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.118 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 32.5 mmt180 -60.52 -39.07 86.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 14.5 m -88.1 2.89 50.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.909 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 63.0 156.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.321 -175.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.569 173.91 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -118.84 92.21 3.75 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.947 -175.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 78.11 118.27 0.21 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.025 -0.607 . . . . 0.0 113.052 176.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -92.24 14.91 14.89 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 11.4 mt -107.28 144.49 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.723 -176.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.571 ' H ' HD22 ' B' ' 845' ' ' LEU . 0.0 OUTLIER -79.42 158.3 74.08 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.764 -178.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.45 168.34 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.569 2.18 . . . . 0.0 113.017 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 t -57.43 -38.53 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.2 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.44 -48.56 65.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.182 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 7.6 mm -66.18 -40.32 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.218 0.532 . . . . 0.0 110.333 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.463 ' O ' HG12 ' B' ' 853' ' ' VAL . 3.6 mmt -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.623 -177.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.17 -39.12 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.573 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 624' ' ' ARG . 44.9 t80 -62.58 -49.18 76.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.441 -178.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.463 HG12 ' O ' ' B' ' 850' ' ' MET . 8.6 p -64.15 -38.36 82.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.915 0.388 . . . . 0.0 110.798 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.12 -38.49 86.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -82.58 -10.51 58.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.689 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -104.47 131.05 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.234 0.54 . . . . 0.0 112.011 -177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 67.6 m -117.54 93.66 43.83 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.666 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.291 2.66 . . . . 0.0 112.496 -177.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.737 0.303 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.6 m -82.21 -30.14 31.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.31 0.576 . . . . 0.0 110.014 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.85 -48.61 32.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.994 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 69.9 p -87.3 34.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.082 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.66 -43.73 98.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.985 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 21.1 t -58.17 -48.67 79.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.248 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.77 -42.79 98.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.018 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.57 -47.56 85.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.794 0.33 . . . . 0.0 110.283 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.692 ' O ' HG12 ' C' ' 127' ' ' ILE . 25.8 ttm180 -54.98 -47.1 75.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.344 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -58.3 -43.81 88.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.472 . . . . 0.0 110.341 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.17 -39.37 69.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.56 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.692 HG12 ' O ' ' C' ' 124' ' ' ARG . 1.7 pt -63.32 -40.21 88.2 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.096 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.555 HD12 ' CD1' ' C' ' 134' ' ' TYR . 2.0 mm? -62.46 -42.92 99.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.183 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -55.74 -24.72 36.73 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.768 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -142.62 59.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 109.766 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 1.4 tpm_? -112.67 99.61 48.17 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.175 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' C' ' 136' ' ' LYS . 76.9 Cg_exo -51.48 -45.25 38.69 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.394 2.73 . . . . 0.0 113.748 -177.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 133' ' ' SEP . . . . . 0.452 ' H ' ' P ' ' C' ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.555 ' CD1' HD12 ' C' ' 128' ' ' LEU . 58.3 t80 -61.53 -46.26 90.71 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.763 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' C' ' 135' ' ' ARG . 23.7 ttt180 -61.87 -41.6 98.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.727 0.299 . . . . 0.0 110.611 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' C' ' 132' ' ' PRO . 8.2 tmtt? -59.14 -56.55 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.8 pt -67.24 -35.28 73.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.679 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.619 HD12 ' CE2' ' A' ' 650' ' ' TYR . 13.9 tp -57.39 -50.16 73.87 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 123.014 0.196 . . . . 0.0 111.229 -177.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.66 -52.61 50.37 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.96 -49.35 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.456 0.646 . . . . 0.0 112.076 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 tp -64.06 -37.82 88.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.574 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.738 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 84.9 p -70.2 1.13 5.12 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t -67.66 33.13 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 144' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' C' ' 142' ' ' SER . 20.9 t70 73.76 65.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.223 1.009 . . . . 0.0 109.214 176.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.401 ' HB3' HD12 ' A' ' 599' ' ' LEU . . . -5.32 92.71 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.158 0 O-C-N 125.021 1.451 . . . . 0.0 113.365 -171.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.24 125.62 18.03 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.152 2.568 . . . . 0.0 113.634 -168.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 602' ' ' HIS . . . -158.49 -88.16 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.373 174.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 3.0 t 71.92 109.54 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 121.037 0.446 . . . . 0.0 110.318 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.954 2.436 . . . . 0.0 111.873 177.784 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 120.221 -0.211 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.21 96.93 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 117.141 0.47 . . . . 0.0 110.684 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.549 ' HA ' ' NE ' ' A' ' 588' ' ' ARG . 0.4 OUTLIER 50.09 -101.83 0.1 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.895 -177.565 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.476 ' HG2' ' HG3' ' A' ' 588' ' ' ARG . 2.1 mmmm -129.97 94.72 3.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 174.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -52.39 -37.72 49.06 Favored Glycine 0 C--N 1.331 0.253 0 O-C-N 123.618 0.574 . . . . 0.0 112.663 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' TRP . . . . . 0.672 ' HA ' ' NH1' ' A' ' 646' ' ' ARG . 1.2 m95 -50.88 -49.59 58.89 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 122.591 0.356 . . . . 0.0 111.25 174.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -62.55 -22.61 66.46 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.172 0.589 . . . . 0.0 111.847 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.82 -13.02 60.28 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.461 -170.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -106.34 2.43 26.58 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.052 0.454 . . . . 0.0 110.237 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 599' ' ' LEU . 83.0 t -118.77 126.05 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 29.0 p -105.15 166.88 10.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.873 0.368 . . . . 0.0 111.814 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -64.34 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.589 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.48 -39.97 92.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.219 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.43 HD23 HG13 ' A' ' 595' ' ' VAL . 38.4 tp -57.86 -43.7 86.09 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.631 ' O ' HG23 ' A' ' 604' ' ' VAL . 93.9 mtt180 -61.38 -42.82 99.33 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.374 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.6 m -55.9 -39.76 72.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -64.72 -41.18 96.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.176 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.14 -44.1 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.93 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -61.89 -40.94 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-O 121.17 0.509 . . . . 0.0 109.942 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 14.1 t60 -60.09 -45.54 92.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.602 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.477 ' HD3' HD11 ' C' ' 141' ' ' LEU . 96.2 mttt -60.72 -37.27 81.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.568 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -48.21 78.81 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.42 -43.83 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.5 mm100 -55.9 -38.42 70.19 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.038 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.35 -36.58 71.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.565 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.475 ' CD1' HD11 ' A' ' 628' ' ' LEU . 14.5 mt -85.3 -31.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.396 -173.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -151.0 114.95 3.16 Favored Pre-proline 0 N--CA 1.47 0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 110.774 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.13 -30.27 88.68 Favored 'Trans proline' 0 N--CA 1.479 0.619 0 C-N-CA 123.461 2.774 . . . . 0.0 114.273 -174.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.9 t -135.04 102.97 10.81 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.408 0.623 . . . . 0.0 111.695 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.87 130.16 21.2 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.012 2.474 . . . . 0.0 112.481 177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -75.93 152.92 84.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 620' ' ' LEU . 31.5 Cg_exo -57.3 -32.77 94.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.616 2.211 . . . . 0.0 112.333 178.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.37 -19.92 35.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 110.794 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -39.62 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.451 . . . . 0.0 110.482 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.5 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.657 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -100.1 6.83 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -86.59 129.09 35.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.932 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 626' ' ' GLU . 10.5 mtp180 -61.04 -38.02 84.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.07 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -64.73 -40.11 94.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.121 0.486 . . . . 0.0 109.832 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 629' ' ' VAL . 2.0 tmt? -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.717 175.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 623' ' ' ARG . 30.2 tt0 -55.71 -42.65 75.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -58.21 -39.74 79.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.387 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 611' ' ' ILE . 25.3 tp -64.68 -43.77 92.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 625' ' ' MET . 2.6 t -59.51 -36.98 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 120.955 0.407 . . . . 0.0 109.973 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.26 96.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.984 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.41 -43.53 94.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.129 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.76 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.132 0.492 . . . . 0.0 110.199 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -64.9 -44.25 90.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.322 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -60.76 -49.27 78.17 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.768 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.78 -47.45 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.998 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -47.12 78.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.17 -50.05 53.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.17 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.7 -38.68 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.42 -0.39 . . . . 0.0 111.134 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 41.2 tpp -60.07 -49.53 77.28 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.004 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -57.52 -37.17 72.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.597 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.791 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 14.3 m -91.03 -30.67 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.693 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.32 2.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 122.788 0.435 . . . . 0.0 112.078 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.6 t30 72.56 -28.83 0.19 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.9 m -128.04 160.26 32.5 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.045 -0.409 . . . . 0.0 110.291 -172.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' ARG . . . . . 0.672 ' NH1' ' HA ' ' A' ' 591' ' ' TRP . 0.0 OUTLIER -66.27 -51.07 61.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 111.679 -175.363 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.5 -41.99 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.466 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.95 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.719 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.89 -49.7 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.266 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.559 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 83.5 t80 -64.95 -45.12 87.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.017 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -64.19 -41.24 97.17 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 -174.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.472 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 70.2 mt -65.09 -40.92 95.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.309 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 66.8 mt -66.78 -42.58 85.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.689 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.58 -43.87 96.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.942 0.401 . . . . 0.0 110.74 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.465 ' OE2' HD21 ' C' ' 128' ' ' LEU . 42.6 tt0 -64.05 -40.0 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 176.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -64.7 -50.72 65.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.744 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.4 pt -66.32 -38.74 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.693 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.676 ' OH ' ' HD3' ' C' ' 131' ' ' ARG . 32.7 t80 -65.17 -49.3 70.33 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 120.537 0.208 . . . . 0.0 111.494 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.96 -43.85 86.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.583 -175.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 1.004 HG21 HD12 ' B' ' 845' ' ' LEU . 24.7 mt -69.19 -48.59 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 0.0 110.505 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -55.09 -44.6 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -56.64 -42.87 79.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.321 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 5.9 tp10 -65.53 -47.49 75.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.583 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.461 HD23 ' HD2' ' A' ' 667' ' ' LYS . 89.2 mt -56.95 -39.51 74.7 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.38 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.8 -48.42 81.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.43 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -39.72 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.31 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.461 ' HD2' HD23 ' A' ' 664' ' ' LEU . 68.5 mttm -56.56 -47.06 80.28 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.645 0.259 . . . . 0.0 111.305 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.72 -21.36 52.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 669' ' ' ARG . 41.7 ttp180 -74.65 -22.47 58.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 176.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 23.3 t -105.47 -3.31 22.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -160.83 61.5 0.3 Allowed 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.798 0.809 . . . . 0.0 110.241 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.251 1.173 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.721 178.475 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -47.15 -18.48 0.09 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.85 135.29 8.85 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.054 173.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -70.63 -48.25 55.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.529 0.204 . . . . 0.0 110.593 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 844' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 660' ' ' ILE . 3.1 mt -103.7 151.13 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.394 -169.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 1.004 HD12 HG21 ' A' ' 660' ' ' ILE . 1.4 mt -80.82 147.32 62.01 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.66 151.17 86.32 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.964 2.443 . . . . 0.0 112.402 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.2 m -55.39 -39.62 70.38 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.408 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 848' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -59.91 -41.42 91.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.775 0.321 . . . . 0.0 111.515 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.8 mm -65.07 -40.97 90.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.547 ' HA ' ' HE3' ' B' ' 850' ' ' MET . 0.0 OUTLIER -58.44 -40.63 83.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 174.503 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 851' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 37.9 m-20 -55.24 -42.9 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.579 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -65.83 -52.2 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.301 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.75 -44.63 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.577 -176.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.3 -46.58 76.47 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -73.64 -60.17 2.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.014 -167.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -172.81 141.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.682 -171.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 26.7 m -116.63 103.93 51.99 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 171.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo . . . . . 0 C--O 1.245 0.848 0 C-N-CA 122.826 2.35 . . . . 0.0 112.665 -175.081 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 120.422 0.153 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 117' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' C' ' 120' ' ' ASP . 2.4 m -74.48 -34.42 63.11 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.952 177.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.0 -63.16 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.331 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 77.8 p -92.59 22.68 4.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 110.692 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' C' ' 117' ' ' SER . 9.9 t70 -56.41 -46.37 80.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 13.2 m -57.06 -49.32 76.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -64.83 -50.43 66.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.567 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -65.14 -52.37 55.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.27 -173.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.562 ' O ' HG12 ' C' ' 127' ' ' ILE . 6.6 ttp180 -64.93 -42.54 94.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.124 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -56.75 -38.31 72.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.398 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.17 -41.29 71.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.175 -174.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.672 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 6.0 pt -66.61 -41.92 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.135 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.465 HD21 ' OE2' ' A' ' 655' ' ' GLU . 1.1 mm? -65.04 -38.14 89.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.445 -171.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 20.5 t -55.33 -17.1 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.15 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.79 45.43 2.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.676 ' HD3' ' OH ' ' A' ' 658' ' ' TYR . 4.2 mmp_? -112.47 102.86 54.99 Favored Pre-proline 0 N--CA 1.465 0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.478 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.19 -58.22 0.22 Allowed 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.833 2.355 . . . . 0.0 112.722 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' C' ' 138' ' ' LEU . 83.7 t80 -61.89 -48.55 80.0 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.154 174.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.461 ' C ' ' HD3' ' C' ' 135' ' ' ARG . 2.7 tmt_? -62.39 -42.83 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.701 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -52.87 -58.88 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.459 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.7 pt -69.11 -31.97 52.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.937 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.449 HD12 ' CE2' ' A' ' 650' ' ' TYR . 14.9 tp -57.93 -45.05 87.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.241 0.543 . . . . 0.0 110.846 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -66.58 -52.59 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.937 0.399 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 140' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' C' ' 143' ' ' SER . 16.4 m-20 -66.88 -47.14 72.75 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.489 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 8.7 tp -62.03 -36.71 82.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.437 -170.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 8.4 p -76.53 -1.95 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 143' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' C' ' 140' ' ' ASP . 21.2 t -43.19 -52.73 5.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -162.76 54.75 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.61 105.9 0.56 Allowed Pre-proline 0 N--CA 1.47 0.539 0 O-C-N 122.237 -0.29 . . . . 0.0 110.565 161.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -67.61 127.82 17.03 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.857 2.372 . . . . 0.0 112.434 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -154.53 -137.55 2.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.558 175.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 41.7 t 72.35 114.26 0.03 OUTLIER Pre-proline 0 C--O 1.235 0.303 0 C-N-CA 122.967 0.507 . . . . 0.0 111.658 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.251 1.145 0 C-N-CA 122.737 2.291 . . . . 0.0 112.056 179.133 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.909 0 CA-C-O 119.741 -0.477 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 6.7 m -76.95 102.65 3.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 118.324 1.062 . . . . 0.0 111.102 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -100.66 -67.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -164.5 58.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.732 0.777 . . . . 0.0 109.365 172.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -111.77 7.58 27.78 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.602 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -56.41 -21.02 22.31 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -64.53 -26.45 68.42 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 110.849 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.3 -25.85 62.34 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -83.35 -5.64 59.21 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.927 0.394 . . . . 0.0 110.75 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' VAL . . . . . 0.47 HG13 HD23 ' A' ' 599' ' ' LEU . 53.6 t -120.47 105.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.9 p -98.75 165.88 11.58 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.607 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -57.64 -37.67 73.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.771 173.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -55.62 -47.38 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' C' ' 147' ' ' GLY . 47.2 tp -59.78 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.688 176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.578 ' O ' HG23 ' A' ' 604' ' ' VAL . 37.3 mmm-85 -63.02 -49.67 73.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 10.9 t -58.25 -39.85 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.481 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -64.45 -40.01 94.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 18.5 mt -65.26 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.298 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.0 t -64.61 -41.26 91.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.379 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.04 -49.12 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 21.7 ptmt -61.68 -36.98 82.41 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -46.37 86.23 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.47 -45.16 98.61 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.825 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -55.76 -37.87 69.1 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.23 85.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.552 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.577 HG12 HG21 ' A' ' 660' ' ' ILE . 12.7 mt -84.47 -37.84 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.081 -176.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.83 104.82 9.79 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.07 -41.48 22.38 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 122.737 2.291 . . . . 0.0 113.775 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -155.07 90.53 2.99 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.798 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.91 147.08 26.67 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.686 2.257 . . . . 0.0 111.038 173.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.14 156.6 66.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.261 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 620' ' ' LEU . 50.2 Cg_exo -51.33 -38.12 61.86 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.511 2.141 . . . . 0.0 113.638 -173.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.77 -23.15 49.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.953 0.406 . . . . 0.0 110.58 -174.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.23 63.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.389 0.614 . . . . 0.0 110.013 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.7 mt -66.22 -25.44 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.588 -171.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -87.22 -6.25 58.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.356 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.539 ' OD1' ' HG2' ' A' ' 624' ' ' ARG . 14.5 t70 -95.23 155.31 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.51 0.672 . . . . 0.0 111.16 -172.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.462 ' HA ' ' OE1' ' A' ' 626' ' ' GLU . 38.5 ttm180 -58.08 -37.11 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.512 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.539 ' HG2' ' OD1' ' A' ' 622' ' ' ASP . 31.4 ptt180 -58.24 -41.36 84.01 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.855 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 77.1 mmm -67.34 -39.56 85.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.45 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' A' ' 623' ' ' ARG . 50.3 mt-10 -54.74 -40.49 69.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.683 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -62.03 -37.46 84.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 18.1 tp -61.0 -44.48 97.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.228 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.08 -38.2 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.266 0.555 . . . . 0.0 109.996 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -61.02 -43.14 99.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.246 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.47 95.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.053 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.91 -47.41 83.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.323 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -64.58 -45.66 86.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.027 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.4 -47.86 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.71 -39.06 87.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.208 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.7 -39.3 97.36 Favored Glycine 0 C--O 1.235 0.181 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.548 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.41 -39.95 85.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 21.6 mmt -59.23 -44.13 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -174.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.73 -39.79 74.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.253 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.53 -40.62 95.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -175.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.8 p -94.47 -29.05 15.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.039 0.447 . . . . 0.0 111.0 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.3 -67.53 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.784 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 64.0 t30 48.04 25.76 0.86 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.536 0.523 . . . . 0.0 112.12 -174.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 7.7 m -153.47 147.65 25.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -64.8 -47.09 79.35 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.13 -45.64 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.594 0.235 . . . . 0.0 110.984 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.12 -37.53 87.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.65 -49.29 75.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.57 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 64.5 t80 -64.97 -40.48 95.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -61.29 -40.96 96.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.321 -177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' LEU . . . . . 0.435 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 54.5 mt -65.78 -39.54 91.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.493 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.438 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 654' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -58.12 -40.76 82.05 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.413 0.625 . . . . 0.0 109.997 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.545 ' OE1' HD21 ' C' ' 128' ' ' LEU . 12.6 tp10 -61.48 -42.1 98.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.347 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.98 -48.94 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.441 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 657' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 654' ' ' ALA . 37.6 pt -63.37 -40.99 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.131 -174.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.15 -38.83 91.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.209 0.458 . . . . 0.0 110.938 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -57.86 -44.31 86.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.628 HG12 HD11 ' B' ' 845' ' ' LEU . 59.2 mt -64.46 -51.52 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.273 0.559 . . . . 0.0 110.432 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 664' ' ' LEU . 50.1 tt0 -55.37 -41.04 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.146 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -57.01 -49.11 76.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.824 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.08 -39.55 93.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.472 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 661' ' ' GLN . 85.5 mt -54.2 -49.19 69.97 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.283 0.563 . . . . 0.0 109.879 176.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.39 -46.96 74.88 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.121 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -41.54 87.51 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.578 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.42 ' HD3' ' HG ' ' B' ' 854' ' ' LEU . 58.4 tttp -62.95 -42.31 99.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 111.202 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -77.76 -32.43 52.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -71.53 -40.87 69.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.278 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 64.2 p -92.25 -20.49 21.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.664 0.269 . . . . 0.0 111.153 -174.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 670' ' ' SER . 20.0 tpt180 70.17 133.74 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.314 -174.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 672' ' ' LEU . 2.6 pt? . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.564 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.494 0.664 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -77.86 120.51 22.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.282 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 97.77 156.08 30.01 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.64 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.56 36.58 1.61 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.814 0.34 . . . . 0.0 111.068 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.6 mt -112.63 152.33 14.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.927 -175.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.628 HD11 HG12 ' A' ' 660' ' ' ILE . 3.6 mp -93.97 143.73 26.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 111.787 -170.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 21.9 Cg_exo -65.48 154.7 72.5 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.6 2.2 . . . . 0.0 111.699 174.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -55.17 -49.99 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -171.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -54.96 -44.55 74.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -172.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.2 mm -64.22 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.17 0.51 . . . . 0.0 109.977 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.5 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 12.2 mmt -65.47 -40.42 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.972 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -59.15 -39.73 83.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.403 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 10.7 t80 -60.28 -50.5 73.4 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.265 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.77 -43.67 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.719 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.42 ' HG ' ' HD3' ' A' ' 667' ' ' LYS . 4.0 mm? -64.91 -38.56 91.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.494 0.188 . . . . 0.0 111.371 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.68 -10.97 60.36 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 110.797 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 856' ' ' ASN . . . . . 0.537 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 56.4 t30 -107.9 151.19 26.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 23.0 m -103.4 97.9 11.25 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 5.0 Cg_exo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.77 2.313 . . . . 0.0 111.571 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.883 0.373 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.6 m -68.12 -26.43 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.658 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.2 -50.12 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.486 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 31.1 p -72.71 -3.56 25.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 18.9 t70 -54.68 -41.66 70.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.71 173.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 34.8 t -61.27 -47.07 87.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.136 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.08 -47.97 78.01 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.047 0.451 . . . . 0.0 110.876 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 14.1 ptmt -62.29 -40.94 97.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.01 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.454 ' O ' HG12 ' C' ' 127' ' ' ILE . 1.2 tpp85 -62.69 -46.27 88.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.373 176.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -56.73 -38.33 72.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.889 -173.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -56.35 -39.69 73.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.707 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.726 HG12 HD22 ' C' ' 128' ' ' LEU . 0.8 OUTLIER -64.49 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.726 HD22 HG12 ' C' ' 127' ' ' ILE . 3.9 mm? -63.29 -41.51 98.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -176.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -57.75 -16.4 11.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.17 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -119.8 30.38 7.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.458 0.647 . . . . 0.0 110.176 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.722 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 4.0 mmp_? -113.54 100.86 52.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.51 -41.38 65.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.576 2.184 . . . . 0.0 112.133 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.646 ' CD1' HD12 ' C' ' 128' ' ' LEU . 58.4 t80 -60.79 -44.7 96.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.953 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.16 -41.76 89.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.75 -54.97 20.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.03 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 137' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' C' ' 141' ' ' LEU . 45.9 pt -67.94 -27.44 37.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.975 -174.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' A' ' 650' ' ' TYR . 18.7 tp -58.28 -50.16 74.58 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.557 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.09 -51.51 37.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.155 0.502 . . . . 0.0 111.779 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -47.94 72.19 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' C' ' 137' ' ' ILE . 37.1 tp -65.2 -40.99 94.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.247 -169.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 3.7 p -67.1 -33.82 76.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.645 -171.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m 32.19 38.06 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 38.4 t70 66.12 73.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.446 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -36.08 112.08 0.5 Allowed Pre-proline 0 N--CA 1.478 0.926 0 O-C-N 124.221 0.951 . . . . 0.0 111.788 -176.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 146' ' ' PRO . . . . . 0.47 ' O ' ' HA ' ' A' ' 599' ' ' LEU . 37.0 Cg_endo -65.78 127.03 17.02 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.024 2.483 . . . . 0.0 112.822 -176.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' ' 599' ' ' LEU . . . 129.52 91.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.634 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.556 ' HB ' ' HD3' ' C' ' 149' ' ' PRO . 4.1 t -148.03 -51.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.701 -0.294 . . . . 0.0 110.712 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 149' ' ' PRO . . . . . 0.556 ' HD3' ' HB ' ' C' ' 148' ' ' VAL . 3.7 Cg_exo . . . . . 0 C--O 1.25 1.113 0 C-N-CA 122.309 2.006 . . . . 0.0 111.587 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 111.579 -0.609 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 587' ' ' VAL . . . . . 0.515 ' O ' ' HG2' ' A' ' 588' ' ' ARG . 12.2 t -87.76 78.76 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.59 ' C ' ' HD2' ' A' ' 589' ' ' LYS . 20.8 mmm180 -167.08 61.12 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.601 -171.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.59 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 2.2 mptm? -145.49 157.43 44.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 -166.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 133.46 -32.1 2.77 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.27 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -52.99 -61.36 2.35 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.892 0.877 . . . . 0.0 113.105 -173.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 0.64 0.84 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -88.39 -33.51 17.89 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.711 175.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -93.91 -12.04 29.72 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.46 124.62 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 77.2 p -85.05 153.68 22.57 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.973 -171.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -38.13 87.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.12 -49.96 72.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.7 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.93 -45.02 91.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 604' ' ' VAL . 80.2 mtp180 -63.17 -48.5 78.15 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.105 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.4 t -57.34 -39.81 76.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.571 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -64.05 -40.69 96.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.021 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 603' ' ' LEU . 19.7 mt -65.61 -44.94 85.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.043 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.2 t -57.73 -43.91 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 25.4 m80 -62.69 -42.57 99.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 177.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.738 ' HD3' HD11 ' C' ' 141' ' ' LEU . 67.6 mttm -60.03 -38.93 84.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.085 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -47.62 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.73 -44.36 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.281 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.1 mm100 -58.41 -38.02 76.52 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.834 0.349 . . . . 0.0 111.625 -176.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.31 90.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.466 0.651 . . . . 0.0 110.373 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.3 mt -84.28 -29.22 7.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.223 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.2 87.5 33.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.768 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.07 -34.64 89.68 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.452 2.102 . . . . 0.0 112.394 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.3 p -124.72 77.32 64.62 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.09 151.13 49.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.018 1.812 . . . . 0.0 111.72 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -111.4 133.81 21.33 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.32 -28.51 53.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.454 2.77 . . . . 0.0 114.1 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.75 -12.41 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 111.478 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.18 67.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.64 -22.01 12.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -80.8 -22.49 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.956 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.17 148.25 50.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.515 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 623' ' ' ARG . 34.9 ttt180 -64.61 -40.79 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.362 -173.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.526 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.447 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -64.19 -40.81 96.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 0.0 109.795 176.536 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -56.01 -40.78 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.75 175.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.23 -38.35 86.33 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' A' ' 625' ' ' MET . 41.7 tp -60.79 -50.7 72.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.481 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.35 -37.96 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.394 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.28 94.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.408 ' O ' HG23 ' A' ' 635' ' ' VAL . 66.3 t80 -58.19 -44.25 87.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.454 177.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.79 96.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.217 0.532 . . . . 0.0 109.883 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.25 -46.79 85.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.845 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.9 -43.86 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.458 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 631' ' ' TYR . 60.6 t -58.54 -42.53 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.598 177.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 4.2 tp10 -54.56 -42.79 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.8 -51.27 41.84 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.114 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.8 -38.3 88.59 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.938 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 44.5 tpp -62.74 -49.58 74.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.767 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -55.17 -39.65 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.163 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.81 -39.76 91.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.422 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.2 p -85.81 -49.74 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.482 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -50.62 -68.56 0.16 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.664 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.28 13.45 5.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.518 0.675 . . . . 0.0 111.324 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 17.1 m -153.6 150.92 29.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -65.54 -46.44 79.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.62 0.248 . . . . 0.0 111.301 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.29 -45.06 89.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.307 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.27 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.506 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.81 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.745 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 62.8 t80 -66.87 -45.71 77.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.467 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -61.58 -44.67 96.6 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.175 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.55 -40.78 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.723 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.407 ' CD1' HD13 ' A' ' 603' ' ' LEU . 50.2 mt -66.72 -43.78 83.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.09 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.54 99.71 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.35 -40.58 93.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.53 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -64.27 -50.23 68.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.958 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 32.4 pt -66.02 -40.21 86.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.217 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -66.35 -44.83 82.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.829 0.286 . . . . 0.0 110.848 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' LYS . . . . . 0.699 ' HZ2' ' HB2' ' A' ' 659' ' ' LYS . 4.9 ttmp? -54.15 -50.75 66.24 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 0.923 HG21 HD12 ' B' ' 845' ' ' LEU . 17.4 mt -70.42 -46.6 70.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 0.0 110.751 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -55.25 -40.49 70.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.52 -43.89 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.264 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.14 -41.74 97.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.269 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 94.9 mt -58.73 -40.08 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.301 177.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.99 -50.83 62.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.76 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -40.51 96.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.238 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -62.37 -35.02 77.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 178.112 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -65.86 -16.05 63.47 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' A' ' 669' ' ' ARG . 6.1 mmp_? -75.07 -18.05 60.36 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.048 0.451 . . . . 0.0 110.259 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 17.4 m -98.03 12.58 33.84 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.59 ' HA ' ' NE ' ' A' ' 671' ' ' ARG . 0.0 OUTLIER 92.97 144.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 113.973 -1.467 . . . . 0.0 109.139 178.421 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.249 1.041 0 O-C-N 123.415 0.447 . . . . 0.0 111.577 -174.936 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -93.31 12.72 23.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.18 0.514 . . . . 0.0 110.354 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 93.3 87.85 1.6 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.984 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' B' ' 843' ' ' ASN . 0.8 OUTLIER -65.81 -31.7 72.81 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.693 0.282 . . . . 0.0 110.748 -178.845 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.1 mt -106.92 148.7 11.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.178 -173.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.923 HD12 HG21 ' A' ' 660' ' ' ILE . 4.2 mt -78.19 128.57 77.95 Favored Pre-proline 0 C--O 1.233 0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.056 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.67 175.0 11.69 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.892 2.394 . . . . 0.0 113.185 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 15.1 m -55.47 -45.09 76.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -172.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.91 -49.13 69.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 24.0 mm -64.81 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 110.472 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 850' ' ' MET . . . . . 0.443 ' SD ' HD21 ' A' ' 664' ' ' LEU . 9.3 mmt -64.47 -40.72 96.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.578 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.1 -45.01 94.1 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.531 HG13 HD22 ' B' ' 854' ' ' LEU . 7.9 p -64.22 -41.36 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.011 -176.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 854' ' ' LEU . . . . . 0.531 HD22 HG13 ' B' ' 853' ' ' VAL . 4.5 mm? -66.11 -38.4 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.55 0.214 . . . . 0.0 111.098 175.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -88.44 26.75 1.38 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.689 0.756 . . . . 0.0 110.512 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 856' ' ' ASN . . . . . 0.488 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 26.7 t-20 -131.05 128.65 40.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.744 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 29.5 m -98.81 101.95 13.6 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 858' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 13.4 Cg_endo . . . . . 0 N--CA 1.451 -1.012 0 C-N-CA 123.241 2.628 . . . . 0.0 112.005 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.967 0.413 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.7 m -64.1 -33.19 75.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.713 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.06 -49.54 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.195 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 73.7 p -76.86 33.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.097 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 34.3 t70 -63.1 -44.63 95.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.094 0.473 . . . . 0.0 110.721 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -60.76 -48.91 79.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.562 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -57.59 -48.0 80.58 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.555 ' O ' HG23 ' C' ' 127' ' ' ILE . 15.4 ptpt -59.42 -42.16 91.18 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.245 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' C' ' 123' ' ' LYS . 79.1 ttt180 -53.56 -49.14 68.33 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.612 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -64.31 -43.45 94.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.02 0.438 . . . . 0.0 110.494 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.67 -42.44 71.36 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.601 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.706 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.2 pt -65.11 -42.43 94.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.55 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.646 HD22 HG12 ' C' ' 127' ' ' ILE . 2.4 mm? -64.56 -46.43 82.83 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.583 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.6 m -57.62 -20.9 36.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 130' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' C' ' 130' ' ' ARG . 23.0 ttp85 -147.19 47.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.462 0.649 . . . . 0.0 111.069 -174.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.706 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 4.9 ttt180 -113.72 115.48 46.35 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.86 -0.525 . . . . 0.0 111.169 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.3 -67.76 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.944 3.096 . . . . 0.0 114.754 -171.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 133' ' ' SEP . . . . . 0.401 ' O ' ' HB3' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.441 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 66.5 t80 -62.2 -47.51 84.14 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -60.99 -41.08 95.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' C' ' 133' ' ' SEP . 23.2 ttmm -51.42 -57.7 8.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.956 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 34.7 pt -71.47 -37.4 64.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.832 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.586 HD12 ' HE2' ' A' ' 650' ' ' TYR . 42.3 tp -53.52 -48.68 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.43 0.292 . . . . 0.0 111.585 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.33 -53.21 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.891 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.63 -48.0 68.02 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.384 0.612 . . . . 0.0 112.01 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.745 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 15.4 tp -60.98 -39.58 90.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.805 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 142' ' ' SER . . . . . 0.426 ' C ' ' H ' ' C' ' 144' ' ' ASP . 92.3 p -80.53 -1.99 44.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.738 -176.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 69.5 m -76.62 37.87 0.18 Allowed 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 144' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' C' ' 142' ' ' SER . 23.4 t70 81.98 33.36 0.09 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.782 0.833 . . . . 0.0 109.466 173.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 36.08 95.25 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.438 0 CA-C-N 114.99 -1.005 . . . . 0.0 112.907 -167.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.58 125.35 15.37 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.532 1.488 . . . . 0.0 112.211 -175.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 147' ' ' GLY . . . . . 0.5 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -178.5 -82.25 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.567 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.4 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 2.7 t 72.08 117.98 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.502 -176.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.253 1.241 0 C-N-CA 123.201 2.601 . . . . 0.0 112.61 -178.189 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.741 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 587' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 588' ' ' ARG . 14.3 t -84.66 69.08 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.965 0.888 . . . . 0.0 109.072 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 588' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 587' ' ' VAL . 3.1 tmt_? 171.71 92.69 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 113.761 -1.563 . . . . 0.0 107.269 -174.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -155.67 121.47 5.02 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -142.52 26.81 2.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.902 -1.142 . . . . 0.0 112.972 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.26 -62.22 1.68 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.195 0.521 . . . . 0.0 111.563 -176.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 592' ' ' HIS . . . . . 0.444 ' O ' HG23 ' A' ' 596' ' ' THR . 59.4 m80 -86.68 -9.3 56.28 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.856 -176.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.22 -14.4 10.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -96.05 -19.64 19.29 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 25.7 t -152.25 82.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.626 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 592' ' ' HIS . 9.9 p -99.87 152.62 19.94 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.152 172.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.28 -36.6 84.61 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.009 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ASP . . . . . 0.442 ' OD2' ' HB2' ' C' ' 146' ' ' PRO . 22.9 t70 -55.88 -45.95 78.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.462 178.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.52 ' CD1' ' HB1' ' C' ' 145' ' ' ALA . 49.5 tp -55.96 -49.63 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.596 176.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 604' ' ' VAL . 76.5 mtp180 -65.73 -46.49 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.626 -178.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 31.2 t -55.87 -39.81 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 602' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' C' ' 146' ' ' PRO . 14.1 m-70 -65.69 -39.91 91.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.448 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.454 HD23 ' HD2' ' A' ' 606' ' ' LYS . 20.5 mt -65.95 -42.91 89.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.528 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 604' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.6 t -62.41 -40.57 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-O 121.122 0.487 . . . . 0.0 109.862 174.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -58.97 -40.81 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' LYS . . . . . 0.719 ' HD3' HD11 ' C' ' 141' ' ' LEU . 68.8 mttm -64.34 -37.55 87.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.194 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -41.98 95.29 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -46.95 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.838 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -55.98 -38.27 70.2 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.556 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.11 78.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.619 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' ILE . . . . . 0.492 HG23 ' ND2' ' B' ' 843' ' ' ASN . 41.4 mt -83.27 -37.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.625 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -152.19 117.98 3.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.966 -171.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.74 -43.62 7.0 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.165 2.576 . . . . 0.0 115.661 -172.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 6.1 t -170.7 117.14 0.47 Allowed Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 118.827 0.74 . . . . 0.0 112.645 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -88.74 158.14 6.21 Favored 'Trans proline' 0 N--CA 1.478 0.575 0 C-N-CA 124.211 3.274 . . . . 0.0 114.65 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.79 165.93 22.81 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.596 168.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.72 -35.21 57.21 Favored 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 122.475 2.117 . . . . 0.0 114.331 -175.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.7 -14.19 58.34 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.996 -0.44 . . . . 0.0 111.867 -171.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.88 -30.23 63.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.05 0.928 . . . . 0.0 110.395 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.95 -16.33 57.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.974 -1.466 . . . . 0.0 112.431 -172.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.1 OUTLIER -90.11 -9.08 49.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.072 0.463 . . . . 0.0 111.412 -173.652 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 622' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 28.0 t70 -76.23 136.78 39.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.955 -175.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.61 -37.84 85.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.141 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 624' ' ' ARG . . . . . 0.48 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 5.6 tpp180 -56.87 -32.81 66.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 625' ' ' MET . . . . . 0.632 ' HA ' ' CZ ' ' B' ' 852' ' ' PHE . 2.0 tmt? -49.15 -36.57 19.67 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.641 1.176 . . . . 0.0 112.68 -172.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.17 -38.12 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.438 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.12 -40.77 70.89 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -174.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.15 -48.74 72.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.828 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.44 -39.16 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.48 94.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 109.392 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 631' ' ' TYR . . . . . 0.427 ' O ' HG23 ' A' ' 635' ' ' VAL . 51.9 t80 -63.79 -43.54 96.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.626 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.31 94.22 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.261 -174.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -49.64 69.73 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.087 0.47 . . . . 0.0 110.384 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -55.4 -47.09 76.43 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.197 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 639' ' ' MET . 67.8 t -56.85 -48.29 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 174.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -55.87 -40.81 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.53 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -59.42 -42.11 97.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.001 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -38.22 89.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.614 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.7 mmt -63.83 -48.89 74.99 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.349 -175.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -58.63 -39.34 80.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.2 -178.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -66.0 -40.88 91.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.139 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -97.61 -21.75 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.09 -57.49 11.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.88 -22.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.387 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 23.4 m -147.69 152.61 38.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -64.96 -41.97 94.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.604 0.24 . . . . 0.0 111.531 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.88 -46.29 90.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.14 -37.67 88.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.468 . . . . 0.0 110.117 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.45 -47.9 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.664 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' TYR . . . . . 0.882 ' OH ' ' HA ' ' C' ' 138' ' ' LEU . 89.4 t80 -64.29 -41.13 97.02 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.441 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 45.0 m170 -57.3 -49.46 76.03 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.821 0.344 . . . . 0.0 111.221 -177.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.04 -48.28 79.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.027 -170.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 639' ' ' MET . 79.2 mt -66.38 -41.44 89.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.647 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.93 88.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.719 0.295 . . . . 0.0 110.985 -178.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 651' ' ' HIS . 9.9 mm-40 -64.21 -39.98 95.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.37 -50.32 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.8 pt -65.18 -37.54 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.452 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' TYR . . . . . 0.401 ' HE1' ' HB3' ' C' ' 133' ' ' SEP . 79.9 t80 -65.2 -48.91 71.73 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.468 -176.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -55.83 -50.01 71.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 660' ' ' ILE . . . . . 1.057 HG23 HG23 ' B' ' 844' ' ' ILE . 10.5 mt -67.96 -49.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.18 -174.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -54.99 -46.44 75.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.267 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -64.41 -40.09 95.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.356 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' GLU . . . . . 0.558 ' OE2' HG22 ' B' ' 844' ' ' ILE . 35.6 tt0 -65.04 -42.03 94.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.931 0.396 . . . . 0.0 110.343 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' B' ' 843' ' ' ASN . 96.8 mt -62.13 -39.07 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.7 tp10 -60.11 -49.24 78.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.295 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -62.07 -39.42 92.34 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.17 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -58.78 -40.54 84.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.868 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' ARG . . . . . 0.464 ' HD3' ' O ' ' A' ' 668' ' ' ARG . 2.1 tmt_? -75.4 -31.87 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 67.9 mtp180 -66.06 -19.31 65.81 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 178.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 28.0 t -84.62 8.65 16.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -143.7 130.45 20.31 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.478 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.428 179.723 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 840' ' ' ASP . . . . . 0.462 ' HA ' ' HG ' ' B' ' 845' ' ' LEU . 1.6 m-20 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.055 0.455 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -137.47 95.18 3.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 72.99 -83.18 0.61 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.903 167.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 843' ' ' ASN . . . . . 0.585 ' HB3' HD11 ' A' ' 664' ' ' LEU . 0.7 OUTLIER -119.25 11.45 12.29 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 172.308 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 844' ' ' ILE . . . . . 1.057 HG23 HG23 ' A' ' 660' ' ' ILE . 14.5 pt -114.94 97.43 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 165.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 845' ' ' LEU . . . . . 0.577 ' HB3' ' HD2' ' B' ' 846' ' ' PRO . 3.8 mp -155.93 -172.26 0.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 846' ' ' PRO . . . . . 0.577 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 26.7 Cg_exo -67.53 -155.42 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 121.74 1.626 . . . . 0.0 111.634 156.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 7.4 t -67.58 -43.16 81.23 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -169.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.3 -55.31 32.89 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -156.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.96 -38.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.159 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -44.9 71.89 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.986 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -55.91 -39.99 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.182 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 852' ' ' PHE . . . . . 0.632 ' CZ ' ' HA ' ' A' ' 625' ' ' MET . 14.8 t80 -65.23 -52.85 51.96 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.181 -0.207 . . . . 0.0 111.475 -176.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 853' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 611' ' ' ILE . 9.5 p -67.3 -39.29 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.373 -177.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.79 -37.17 85.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.221 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.59 -30.89 70.97 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -93.15 129.2 39.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.059 0.457 . . . . 0.0 110.302 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 21.0 m -111.24 109.74 56.52 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.94 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo . . . . . 0 C--O 1.249 1.028 0 C-N-CA 122.841 2.361 . . . . 0.0 111.43 176.313 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.807 0.336 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.8 m -67.14 -32.78 74.13 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.954 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.26 -46.79 89.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.305 0.574 . . . . 0.0 109.727 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 71.6 p -80.14 43.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.883 177.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' C' ' 123' ' ' LYS . 28.9 t70 -58.71 -45.59 89.22 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.136 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 121' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' C' ' 122' ' ' GLN . 28.1 t -57.65 -48.89 78.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.082 177.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 122' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' C' ' 121' ' ' SER . 1.8 mp0 -62.0 -40.73 96.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 110.368 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 123' ' ' LYS . . . . . 0.499 ' O ' HG23 ' C' ' 127' ' ' ILE . 61.6 tttp -55.98 -47.03 78.44 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.895 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 124' ' ' ARG . . . . . 0.731 ' O ' HG12 ' C' ' 127' ' ' ILE . 75.9 ttt180 -55.47 -47.26 76.38 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.368 175.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 125' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' C' ' 125' ' ' ARG . 0.2 OUTLIER -57.71 -45.21 86.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.093 0.473 . . . . 0.0 110.153 -177.319 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.78 -39.41 74.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.594 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 127' ' ' ILE . . . . . 0.731 HG12 ' O ' ' C' ' 124' ' ' ARG . 5.5 pt -60.57 -40.17 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.811 -174.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.82 -41.55 82.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.175 0.512 . . . . 0.0 110.447 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 47.1 m -56.86 -27.05 59.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.251 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 130' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' C' ' 132' ' ' PRO . 0.2 OUTLIER -136.72 45.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.436 0.636 . . . . 0.0 109.616 176.055 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 131' ' ' ARG . . . . . 0.629 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.3 OUTLIER -105.51 101.61 32.91 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.82 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' C' ' 130' ' ' ARG . 53.6 Cg_exo -53.54 -40.51 78.7 Favored 'Trans proline' 0 N--CA 1.473 0.302 0 C-N-CA 123.571 2.848 . . . . 0.0 114.057 -174.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 133' ' ' SEP . . . . . 0.404 ' O ' ' HB3' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 134' ' ' TYR . . . . . 0.627 ' O ' ' HG ' ' C' ' 138' ' ' LEU . 66.4 t80 -61.91 -42.16 98.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 135' ' ' ARG . . . . . 0.536 ' HA ' HD12 ' C' ' 138' ' ' LEU . 29.1 tpt180 -60.33 -42.14 95.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.45 174.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 136' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' C' ' 133' ' ' SEP . 38.2 ttpt -54.51 -47.25 73.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.82 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 43.3 pt -78.07 -29.49 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.985 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 138' ' ' LEU . . . . . 0.882 ' HA ' ' OH ' ' A' ' 650' ' ' TYR . 87.0 mt -54.74 -50.43 68.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.268 0.556 . . . . 0.0 110.289 173.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.77 -51.57 64.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.564 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.39 -50.65 58.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 141' ' ' LEU . . . . . 0.719 HD11 ' HD3' ' A' ' 606' ' ' LYS . 12.8 tp -65.68 -46.78 77.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.209 -167.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 76.7 p -75.87 -25.74 56.43 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.772 0.32 . . . . 0.0 111.258 -173.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 18.5 m -81.42 -7.76 59.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.127 0.489 . . . . 0.0 110.569 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 144' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' C' ' 146' ' ' PRO . 34.1 t70 -113.57 37.97 3.07 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.437 0.637 . . . . 0.0 109.868 176.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 145' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' A' ' 599' ' ' LEU . . . -107.76 95.58 14.86 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.649 174.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 146' ' ' PRO . . . . . 0.541 ' HG2' ' CE1' ' A' ' 602' ' ' HIS . 28.3 Cg_exo -64.69 158.45 50.34 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 123.675 2.916 . . . . 0.0 112.732 175.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 179.61 77.1 0.06 OUTLIER Glycine 0 C--N 1.323 -0.168 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.345 -176.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 148' ' ' VAL . . . . . 0.514 ' H ' ' CD ' ' C' ' 149' ' ' PRO . 5.1 t -150.18 -50.94 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.565 -0.255 . . . . 0.0 111.261 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 149' ' ' PRO . . . . . 0.514 ' CD ' ' H ' ' C' ' 148' ' ' VAL . 10.1 Cg_exo . . . . . 0 C--O 1.252 1.191 0 C-N-CA 122.381 2.054 . . . . 0.0 112.755 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 64.0 t -104.65 118.87 52.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.8 p -95.37 160.85 14.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.798 0.332 . . . . 0.0 111.443 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.84 88.88 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -55.47 -48.6 74.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.974 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 60.2 tp -55.42 -47.78 75.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.468 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.0 mtp180 -64.38 -40.03 95.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.755 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.4 m -56.54 -40.75 75.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.417 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -64.53 -38.56 91.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.078 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 24.5 mt -65.09 -46.92 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.525 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -63.74 -43.55 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -58.89 -47.59 84.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.046 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.669 ' NZ ' HD21 ' C' ' 141' ' ' LEU . 12.9 pttp -64.37 -34.85 79.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 177.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.469 HD11 HD22 ' A' ' 653' ' ' LEU . 0.2 OUTLIER -58.22 -42.83 87.13 Favored 'General case' 0 N--CA 1.461 0.11 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.66 -47.65 87.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -55.26 -37.36 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.21 -38.64 74.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.732 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.429 ' O ' HG21 ' B' ' 853' ' ' VAL . 37.5 mt -91.18 -43.15 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.097 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.15 94.06 37.36 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.15 -41.49 21.9 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.582 2.188 . . . . 0.0 113.115 -175.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -147.41 94.93 4.4 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 121.554 0.693 . . . . 0.0 111.449 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.402 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 1.6 Cg_endo -84.72 142.54 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.997 2.464 . . . . 0.0 111.122 173.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.14 161.5 67.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 119.28 -0.391 . . . . 0.0 110.111 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 620' ' ' LEU . 71.3 Cg_exo -48.11 -34.77 24.45 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.646 2.23 . . . . 0.0 113.958 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.0 -26.95 36.08 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 -177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.6 mt -59.77 -38.41 81.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.61 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 13.36 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.038 0.447 . . . . 0.0 111.213 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -95.66 149.84 21.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.392 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -57.02 -37.83 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.492 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.63 ' HD2' ' CZ ' ' B' ' 852' ' ' PHE . 14.3 ptp180 -59.98 -38.34 82.29 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.561 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.6 tpt -65.52 -44.07 88.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.33 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.35 -40.76 95.46 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.75 -39.16 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.935 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.08 -46.55 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.197 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 625' ' ' MET . 3.9 t -61.82 -36.88 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.259 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.29 89.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.026 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.84 -46.58 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.934 174.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.29 95.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.053 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -64.55 -48.98 73.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -65.13 -46.68 79.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.619 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 639' ' ' MET . 70.9 t -59.33 -40.91 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.454 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.8 -39.98 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.886 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -48.66 71.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.59 -39.0 89.62 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.788 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.575 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -63.0 -50.43 70.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.944 -178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -63.63 -40.94 98.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.948 0.404 . . . . 0.0 110.469 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.808 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 12.4 m -94.51 -22.46 18.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -172.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.69 -63.27 1.19 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 643' ' ' ALA . 9.8 t30 75.24 -21.47 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.803 0.689 . . . . 0.0 111.495 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 1.7 m -144.53 150.54 37.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -65.18 -43.54 91.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 111.353 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.59 -45.14 89.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.48 -37.1 86.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.976 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.5 -50.64 71.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.684 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.7 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 76.1 t80 -66.33 -44.35 83.57 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -57.71 -42.99 84.89 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.228 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.95 -44.4 89.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 110.027 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.521 HD21 ' HG3' ' A' ' 639' ' ' MET . 77.8 mt -66.68 -40.79 88.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.861 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.35 93.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 111.13 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.524 ' OE1' HD21 ' C' ' 128' ' ' LEU . 31.0 tt0 -65.45 -39.92 92.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.212 0.529 . . . . 0.0 110.498 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -64.57 -42.63 95.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.894 -176.035 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.4 pt -64.6 -38.58 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.655 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 55.9 t80 -64.84 -40.21 94.81 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.392 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.351 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.635 HG12 HD11 ' B' ' 845' ' ' LEU . 88.9 mt -65.15 -46.22 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.438 0.637 . . . . 0.0 110.206 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -52.38 -43.48 64.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.405 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.655 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 28.8 mtpp -63.72 -42.28 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.556 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.645 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 53.4 mt -62.56 -41.54 98.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.317 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.17 -44.6 83.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.795 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.33 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.569 ' HB3' ' HG ' ' B' ' 854' ' ' LEU . 38.9 mmtm -64.43 -38.14 89.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.525 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -66.95 -23.32 65.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.906 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 N--CA 1.47 0.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.578 -179.281 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.635 HD11 HG12 ' A' ' 660' ' ' ILE . 3.3 mp -92.06 154.85 43.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.584 0.231 . . . . 0.0 110.787 -175.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.17 155.2 66.48 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.397 2.065 . . . . 0.0 110.912 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.1 m -54.81 -42.31 71.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.51 -40.94 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -172.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . 0.427 HG12 ' H ' ' B' ' 849' ' ' ILE . 3.6 mm -63.93 -45.36 97.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.438 ' SD ' HD13 ' B' ' 845' ' ' LEU . 13.6 mmt -65.84 -40.32 91.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.5 -47.84 75.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.737 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . 0.63 ' CZ ' ' HD2' ' A' ' 624' ' ' ARG . 6.2 t80 -65.74 -50.24 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.666 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 611' ' ' ILE . 4.9 p -62.09 -39.92 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.414 -168.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 667' ' ' LYS . 3.6 mm? -64.99 -36.0 82.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.341 175.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.78 -18.73 63.14 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.074 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 . . . . . 0 C--O 1.236 0.387 0 CA-C-O 120.857 0.361 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -57.15 -41.12 78.55 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.732 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.675 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 3.1 pt -63.42 -40.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.736 -175.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.524 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.2 mm? -56.79 -38.9 73.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.013 0.435 . . . . 0.0 110.716 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . 0.425 ' HA ' HH21 ' C' ' 135' ' ' ARG . 8.2 t -58.85 -17.31 22.66 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -133.96 45.56 2.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.761 0.791 . . . . 0.0 109.933 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 1.8 mmp_? -111.2 103.96 55.57 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.409 175.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.407 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 51.7 Cg_exo . . . . . 0 C--N 1.343 0.268 0 C-N-CA 123.46 2.774 . . . . 0.0 113.21 -175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.458 ' CG ' HD12 ' C' ' 128' ' ' LEU . 80.2 t80 . . . . . 0 C--O 1.223 -0.292 0 CA-C-O 120.667 0.27 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.425 HH21 ' HA ' ' C' ' 129' ' ' SER . 17.6 mmt85 -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.112 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 33.7 mtmm -59.87 -55.0 39.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.245 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 33.8 pt -67.9 -33.59 62.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.075 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.516 HD12 ' HE2' ' A' ' 650' ' ' TYR . 9.1 tp -62.39 -50.13 72.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.67 0.272 . . . . 0.0 110.394 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -66.74 -50.67 62.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.816 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.64 -51.23 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.7 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 48.0 tp -64.96 -42.11 94.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.898 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 81.1 p -76.06 -9.55 58.71 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 122.307 -0.246 . . . . 0.0 111.492 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -176.681 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 45.0 t60 . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.6 133.79 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 51.0 p -100.23 169.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 111.458 -173.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.49 94.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . 0.555 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 18.5 t70 -60.13 -50.29 74.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 41.9 tp -57.38 -44.74 84.7 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 604' ' ' VAL . 0.1 OUTLIER -57.16 -44.74 83.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.228 178.269 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 29.0 m -61.65 -41.97 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.279 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.555 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 43.1 m-70 -64.9 -38.83 92.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.152 0.501 . . . . 0.0 110.314 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.459 HD13 HD11 ' A' ' 653' ' ' LEU . 24.6 mt -66.19 -43.14 87.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.556 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 600' ' ' ARG . 4.6 t -55.67 -39.84 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.875 0.369 . . . . 0.0 110.563 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -56.98 -39.22 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -62.37 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.61 82.03 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.54 -47.55 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.463 173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -54.71 -39.89 68.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.21 0.529 . . . . 0.0 110.688 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.25 83.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.09 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 660' ' ' ILE . 43.5 mt -94.42 -41.57 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 -174.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.95 85.81 45.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.7 -38.26 41.31 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.732 2.288 . . . . 0.0 113.094 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.3 t -143.26 87.25 8.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.908 0.385 . . . . 0.0 111.592 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.06 145.77 19.7 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.395 2.064 . . . . 0.0 111.665 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -69.5 156.15 92.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.746 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.466 ' HA ' HD12 ' A' ' 620' ' ' LEU . 9.2 Cg_endo -50.59 -44.46 40.07 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.233 . . . . 0.0 111.914 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.64 -21.43 55.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.075 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.87 -38.67 64.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 110.674 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.5 mt -59.49 -33.52 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 -177.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -96.31 14.3 24.72 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.84 0.352 . . . . 0.0 111.297 -177.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 10.3 t70 -96.34 143.17 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.515 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 31.4 mmt180 -56.69 -36.19 69.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.568 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' B' ' 852' ' ' PHE . 23.8 mmm180 -60.81 -46.04 92.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 110.505 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 16.4 tpt -65.95 -41.69 90.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.984 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.515 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 52.3 mt-10 -59.58 -40.57 87.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.122 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -59.0 -38.82 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.73 -45.99 90.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.31 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.4 -38.77 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.862 0.363 . . . . 0.0 110.229 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.79 92.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.456 0.646 . . . . 0.0 110.0 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.797 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.188 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -59.47 -50.1 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.525 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 634' ' ' LYS . 0.6 OUTLIER -66.03 -42.07 90.09 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.32 -177.546 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.62 -44.91 97.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 111.147 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -62.1 -40.19 95.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.009 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.68 93.67 Favored Glycine 0 CA--C 1.507 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.437 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.7 -40.03 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.153 0.501 . . . . 0.0 110.194 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.481 ' SD ' HD23 ' A' ' 653' ' ' LEU . 34.8 mtt -66.27 -49.74 66.11 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.248 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -60.71 -40.86 93.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.162 -172.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.81 -39.36 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.663 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.4 m -94.12 -23.53 17.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.662 -174.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -57.59 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.86 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.2 t30 57.12 16.94 3.2 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 14.8 m -154.33 149.5 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -64.99 -49.18 71.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.917 0.389 . . . . 0.0 111.004 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.24 -43.07 92.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.32 -39.15 89.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.263 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.04 -47.99 83.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.874 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.54 ' HE2' ' CD1' ' C' ' 138' ' ' LEU . 94.8 t80 -64.44 -40.57 95.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -64.41 -39.64 94.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.36 -38.28 90.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.629 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 657' ' ' ILE . 35.0 mt -55.36 -43.82 75.41 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.312 174.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.427 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -64.1 -39.41 93.99 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.138 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.536 ' OE1' HD21 ' C' ' 128' ' ' LEU . 14.6 tp10 -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.463 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.76 -46.47 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.421 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.4 pt -63.54 -37.64 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.888 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -62.09 -42.2 98.97 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.655 0.264 . . . . 0.0 110.445 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.453 ' HD2' HG12 ' B' ' 844' ' ' ILE . 19.8 ttmm -55.95 -50.6 70.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.966 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.517 ' CG1' HD11 ' B' ' 844' ' ' ILE . 35.5 mt -67.31 -51.76 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.883 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.15 -45.11 79.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.524 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' A' ' 662' ' ' LYS . 0.0 OUTLIER -62.79 -44.71 95.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.533 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.13 -39.87 93.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.21 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.41 ' CD2' ' HG3' ' B' ' 850' ' ' MET . 78.2 mt -61.58 -40.25 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.714 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -64.23 -49.22 72.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.468 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -38.91 92.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.67 -44.69 96.18 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.401 0.28 . . . . 0.0 111.201 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -76.98 -27.28 54.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.175 0.512 . . . . 0.0 110.094 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.414 176.83 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . 0.517 HD11 ' CG1' ' A' ' 660' ' ' ILE . 1.2 tp . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.781 0.324 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.575 ' HB2' ' SD ' ' B' ' 850' ' ' MET . 1.1 mp -75.58 137.54 70.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.343 -165.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.56 -178.17 4.09 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.97 2.446 . . . . 0.0 112.735 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.9 m -55.5 -40.67 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.55 -49.52 67.48 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.19 -44.2 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.111 0.482 . . . . 0.0 110.912 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.575 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -62.27 -41.98 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.922 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -58.93 -37.85 77.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.918 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . 0.542 ' HB2' HH21 ' A' ' 624' ' ' ARG . 47.7 t80 -61.7 -50.59 71.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.188 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.72 -39.02 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.42 -37.27 85.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -58.18 -43.79 87.68 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.367 -172.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.17 0.509 . . . . 0.0 110.101 177.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 121.024 0.44 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.14 -39.67 72.64 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.171 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.494 HG12 HD22 ' C' ' 128' ' ' LEU . 4.0 pt -63.22 -41.7 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.419 -173.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.536 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.9 mm? -59.18 -41.13 87.73 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 88.0 p -56.57 -35.08 67.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.746 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -144.75 68.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.388 0.613 . . . . 0.0 109.9 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.555 ' CZ ' ' HB2' ' C' ' 134' ' ' TYR . 4.8 ttp180 -113.6 120.47 39.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo . . . . . 0 CA--C 1.53 0.281 0 C-N-CA 123.114 2.542 . . . . 0.0 113.173 179.796 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' C' ' 131' ' ' ARG . 82.3 t80 . . . . . 0 C--O 1.22 -0.468 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.435 ' NH2' HD23 ' C' ' 138' ' ' LEU . 6.2 tpm_? -56.41 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.02 -56.03 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.916 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.2 pt -66.35 -33.89 66.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.133 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.54 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 10.4 tp -60.55 -41.0 93.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.863 0.84 . . . . 0.0 110.432 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.3 -52.82 56.64 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.117 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.67 -49.52 62.37 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.54 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 21.4 tp -60.81 -36.39 78.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.397 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 25.6 p -72.28 -0.02 11.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.235 0.321 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.586 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.2 t60 . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.752 0.311 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 599' ' ' LEU . 84.9 t -116.24 111.93 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.516 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 32.1 p -96.26 166.46 11.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.959 -172.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.477 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -57.3 -40.02 76.97 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.35 -46.85 88.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 595' ' ' VAL . 28.6 tp -57.73 -43.61 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 596' ' ' THR . 45.8 mtt180 -65.48 -49.11 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.338 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 27.7 m -57.51 -38.69 75.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.144 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -61.84 -43.54 98.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.189 176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.485 HD23 ' HD3' ' A' ' 606' ' ' LYS . 16.8 mt -65.78 -40.54 92.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.991 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.5 -41.72 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 176.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -62.66 -40.88 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.095 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.485 ' HD3' HD23 ' A' ' 603' ' ' LEU . 28.1 mtpp -63.84 -38.68 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.996 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -42.76 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.67 -49.23 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.225 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -56.92 -36.89 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.128 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.26 -39.02 74.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.885 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 21.9 mt -92.44 -38.36 10.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.92 86.58 42.83 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.21 -37.74 89.84 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.79 2.327 . . . . 0.0 113.872 -171.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.6 t -161.81 94.32 1.32 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 121.293 0.568 . . . . 0.0 111.852 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -84.14 164.67 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.892 2.394 . . . . 0.0 112.31 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.2 155.15 54.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.429 ' HA ' HD12 ' A' ' 620' ' ' LEU . 5.3 Cg_endo -47.39 -43.81 26.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.21 2.607 . . . . 0.0 113.491 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.17 -30.97 71.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.475 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.03 64.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 617' ' ' PRO . 1.9 mt -61.77 -31.5 71.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.653 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -91.66 6.11 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.928 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.67 151.56 19.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 111.364 -172.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -39.63 94.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.611 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -64.18 -42.54 96.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.042 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -66.08 -39.77 90.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.186 0.517 . . . . 0.0 110.177 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.68 -40.51 72.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.665 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -60.08 -36.34 77.16 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.715 0.293 . . . . 0.0 110.767 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.09 -43.23 99.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.72 -37.38 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.139 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.307 0.575 . . . . 0.0 109.601 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -61.35 -43.48 98.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.144 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.06 0.457 . . . . 0.0 110.329 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.57 -46.84 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.181 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -64.04 -44.48 92.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.811 0.339 . . . . 0.0 110.989 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 639' ' ' MET . 69.0 t -59.16 -41.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.81 -39.02 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.12 92.67 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.877 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.73 -38.3 88.79 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.965 0.412 . . . . 0.0 110.89 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.6 ' HG3' HD21 ' A' ' 653' ' ' LEU . 22.9 mmt -64.34 -51.68 62.16 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.039 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.61 -38.46 87.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.846 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.73 -39.36 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.958 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.3 p -95.38 -27.96 15.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.96 -67.85 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 643' ' ' ALA . 9.3 t30 71.92 -9.25 1.0 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.038 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 26.6 m -153.45 154.33 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.632 -0.667 . . . . 0.0 109.643 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.5 -45.84 88.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.623 0.249 . . . . 0.0 110.948 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -64.14 -40.23 95.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.058 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -64.3 -40.31 95.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.435 . . . . 0.0 110.798 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.333 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.673 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 56.4 t80 -64.9 -40.94 95.87 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.048 0.452 . . . . 0.0 110.557 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.411 ' O ' ' HG3' ' A' ' 655' ' ' GLU . 79.8 t60 -62.0 -42.85 99.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.761 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.31 -46.13 84.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 110.735 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.6 HD21 ' HG3' ' A' ' 639' ' ' MET . 75.6 mt -66.05 -39.68 90.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.578 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.94 74.03 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.923 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 651' ' ' HIS . 38.5 mt-10 -65.69 -42.5 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.932 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.409 ' HE2' HG11 ' A' ' 635' ' ' VAL . 59.9 tttp -66.36 -46.83 75.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.5 pt -63.75 -37.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.637 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -63.85 -40.82 97.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.536 ' HD3' HG12 ' B' ' 844' ' ' ILE . 20.9 ttmm -56.09 -50.97 69.54 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.113 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 44.2 mt -65.72 -49.58 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.292 0.567 . . . . 0.0 110.401 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -53.93 -48.95 69.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.054 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -64.53 -43.96 92.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.97 -48.2 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.952 -177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.67 -40.58 92.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.8 -48.69 68.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.727 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -38.52 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.885 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.89 -40.03 72.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -76.78 -33.07 58.07 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.453 -176.294 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . 0.536 HG12 ' HD3' ' A' ' 659' ' ' LYS . 1.1 mt . . . . . 0 C--O 1.233 0.199 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.66 148.45 35.43 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.494 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.48 159.02 29.16 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.817 2.344 . . . . 0.0 112.239 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.8 t -55.25 -47.11 75.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.208 0.317 . . . . 0.0 111.056 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.82 -45.6 74.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.905 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.34 -46.03 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.379 0.609 . . . . 0.0 109.914 -178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.441 ' O ' HD23 ' B' ' 854' ' ' LEU . 6.3 mmt -65.82 -40.09 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.312 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.56 -38.01 83.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.2 -49.49 75.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.406 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 850' ' ' MET . 11.4 p -65.17 -39.0 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.834 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . 0.441 HD23 ' O ' ' B' ' 850' ' ' MET . 3.3 mm? -55.83 -37.16 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.681 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' B' ' 855' ' ' LYS . 6.0 mmtp -98.44 19.31 14.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.099 0.475 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -55.13 -38.65 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.816 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.502 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 4.5 pt -57.14 -38.79 62.88 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 121.201 -0.2 . . . . 0.0 110.737 -175.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.48 HD22 HG12 ' C' ' 127' ' ' ILE . 2.3 mm? -62.2 -41.27 98.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 -177.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 50.6 m -57.81 -23.89 54.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.819 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.08 55.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.239 0.543 . . . . 0.0 109.913 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' C' ' 134' ' ' TYR . 7.2 tpt180 -113.6 113.15 48.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.639 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 35.3 Cg_exo . . . . . 0 C--N 1.348 0.535 0 C-N-CA 123.583 2.856 . . . . 0.0 114.04 -174.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 19.4 t80 . . . . . 0 C--O 1.225 -0.206 0 CA-C-O 120.521 0.2 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -63.62 -41.78 98.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.756 0.312 . . . . 0.0 110.736 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.76 -44.05 81.37 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.298 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 37.4 pt -76.72 -36.37 26.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.588 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.568 HD12 ' HE2' ' A' ' 650' ' ' TYR . 12.0 tp -56.06 -48.62 75.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.605 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -65.18 -50.75 64.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.26 -44.74 82.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.401 0.619 . . . . 0.0 112.289 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.673 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 18.1 tp -62.25 -39.24 92.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.554 -172.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 4.9 p -71.55 -1.02 12.0 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 CA--C 1.537 0.481 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -171.454 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 34.6 t60 . . . . . 0 CA--C 1.532 0.256 0 CA-C-O 120.443 0.164 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.7 t -94.0 122.18 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 38.0 p -105.56 170.4 7.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.46 -40.51 78.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 0.0 110.27 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.82 -50.02 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 45.6 tp -62.99 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.633 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 604' ' ' VAL . 58.2 ttt180 -64.47 -50.2 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 57.3 m -59.12 -38.38 79.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.342 . . . . 0.0 111.245 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.09 -46.33 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.583 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.9 t -62.14 -40.67 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-O 121.153 0.501 . . . . 0.0 110.139 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -58.62 -40.6 83.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.422 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -60.82 -37.87 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.174 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 656' ' ' LYS . 0.4 OUTLIER -57.65 -46.13 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.271 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.43 -41.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -54.01 -37.81 64.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.246 0.546 . . . . 0.0 110.633 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.35 69.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.406 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.52 ' O ' HG21 ' B' ' 853' ' ' VAL . 49.4 mt -98.56 -44.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.979 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.85 88.0 47.4 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.79 -33.53 64.79 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 122.891 2.394 . . . . 0.0 113.512 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.7 t -156.82 95.32 2.22 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.337 0.589 . . . . 0.0 111.483 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.95 155.92 20.2 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.075 2.517 . . . . 0.0 111.742 174.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.529 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.5 p-10 -92.54 163.25 27.06 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 1.0 OUTLIER -43.15 -41.47 9.6 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.368 2.712 . . . . 0.0 114.001 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.13 65.31 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.859 -0.526 . . . . 0.0 111.719 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.58 -42.91 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 110.472 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.7 mt -57.24 -39.98 76.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.825 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 617' ' ' PRO . 13.7 pttm -94.01 15.51 16.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.914 0.388 . . . . 0.0 111.489 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.67 143.63 27.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.923 0.392 . . . . 0.0 110.263 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.83 -37.41 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.621 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -61.07 -39.87 91.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.407 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.2 tpt -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.936 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -59.5 -40.93 88.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -62.98 -38.61 91.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.969 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.89 -49.64 75.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 625' ' ' MET . 2.9 t -60.09 -36.96 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -64.24 -40.56 96.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.645 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.84 94.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 0.0 109.829 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 636' ' ' GLU . 12.6 tmtt? -62.27 -49.58 75.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.261 -177.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -64.19 -39.55 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.165 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.0 t -58.35 -40.32 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-O 120.772 0.32 . . . . 0.0 110.464 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 9.3 tt0 -54.5 -43.3 71.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.92 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.28 -49.73 55.33 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.783 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -38.95 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.05 0.452 . . . . 0.0 110.565 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 24.2 ttp -64.09 -47.42 80.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.761 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.29 -40.6 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.053 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -68.22 -46.02 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.111 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.3 m -83.88 -30.21 26.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -169.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.15 -71.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.4 t30 54.62 19.46 2.46 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 36.9 m -159.78 158.34 30.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -66.2 -51.26 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.949 0.404 . . . . 0.0 111.302 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.051 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.28 -38.41 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.038 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.11 -50.69 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.44 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.824 ' HE2' HD12 ' C' ' 138' ' ' LEU . 52.5 t80 -67.94 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.096 0.474 . . . . 0.0 110.724 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -56.01 -41.86 75.56 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.484 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.45 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.124 -176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.477 ' O ' HG12 ' A' ' 657' ' ' ILE . 72.9 mt -63.92 -41.66 97.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.42 80.9 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.129 0.49 . . . . 0.0 110.484 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 31.8 tt0 -62.32 -49.78 74.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.66 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 660' ' ' ILE . 2.7 tpmt? -65.7 -47.73 74.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.625 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 653' ' ' LEU . 44.1 pt -64.32 -37.57 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.844 -175.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.18 -49.19 70.76 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.463 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 0.3 OUTLIER -64.29 -36.92 85.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.586 HG12 HD11 ' B' ' 844' ' ' ILE . 67.7 mt -62.41 -51.52 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.476 0.655 . . . . 0.0 109.308 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.582 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 8.0 tt0 -57.01 -45.67 82.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.86 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -61.64 -41.01 96.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.643 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -62.79 -43.72 98.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.003 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.29 -40.38 81.78 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.005 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 49.3 mt-10 -63.83 -50.32 69.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.875 0.369 . . . . 0.0 110.635 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -40.03 94.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.03 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -63.06 -40.59 98.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 110.649 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -72.57 -36.43 68.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.493 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.128 -174.144 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 660' ' ' ILE . 5.1 tp . . . . . 0 N--CA 1.447 -0.614 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.12 134.84 73.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 0.0 111.051 -163.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.93 -174.85 2.41 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.956 2.437 . . . . 0.0 112.897 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.1 m -56.39 -39.95 73.82 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -53.1 -51.74 60.89 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.96 -46.8 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 111.342 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.42 ' O ' HD23 ' B' ' 854' ' ' LEU . 29.5 mmt -64.18 -41.3 97.16 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -174.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.04 -38.04 89.61 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.15 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.1 -49.68 76.1 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.067 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 611' ' ' ILE . 8.0 p -65.61 -38.52 82.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.245 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . 0.42 HD23 ' O ' ' B' ' 850' ' ' MET . 3.4 mm? -62.12 -37.83 86.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.745 0.307 . . . . 0.0 110.68 175.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -70.71 -38.1 73.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.136 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -178.245 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 . . . . . 0 C--O 1.236 0.36 0 CA-C-O 121.229 0.538 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -55.82 -44.58 78.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.75 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -62.95 -40.63 89.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.504 -175.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' C' ' 134' ' ' TYR . 2.0 mm? -65.21 -44.71 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.12 0.486 . . . . 0.0 110.053 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.8 m -58.05 -36.09 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.253 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -116.39 48.16 1.31 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.606 0.717 . . . . 0.0 109.878 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.584 ' HB3' ' CB ' ' C' ' 134' ' ' TYR . 8.3 tpt180 -113.95 106.01 53.84 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.659 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 18.1 Cg_endo . . . . . 0 CA--C 1.529 0.234 0 C-N-CA 122.297 1.998 . . . . 0.0 112.166 178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.584 ' CB ' ' HB3' ' C' ' 131' ' ' ARG . 57.8 t80 . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -58.11 -42.13 85.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.224 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 63.3 mttp -63.48 -55.88 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.198 0.523 . . . . 0.0 111.078 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.1 pt -70.43 -21.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.593 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.824 HD12 ' HE2' ' A' ' 650' ' ' TYR . 15.0 tp -62.15 -41.91 98.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 177.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -66.97 -48.91 67.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.187 169.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.5 -49.81 69.85 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.507 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 28.6 tp -60.54 -41.33 94.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -171.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 650' ' ' TYR . 2.6 p -70.89 -35.24 72.23 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.881 -172.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 CA--C 1.536 0.421 0 O-C-N 123.55 0.531 . . . . 0.0 111.936 -174.841 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 33.8 m170 . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 121.011 0.434 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.8 t -97.21 120.54 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.709 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.0 p -101.2 172.17 7.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.573 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -60.19 -38.41 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.14 -48.57 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.369 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.28 -40.65 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 604' ' ' VAL . 70.8 mtp180 -63.96 -49.2 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.512 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 16.2 m -55.64 -41.57 73.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.649 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -65.35 -40.36 93.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.889 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.13 -49.89 68.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.3 t -65.16 -43.68 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.867 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -60.0 -48.7 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.284 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -63.1 -35.26 79.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.01 -44.5 82.86 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.97 -48.17 87.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.272 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -55.19 -35.92 65.36 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.955 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -54.69 -38.02 66.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.548 HD11 HD13 ' B' ' 845' ' ' LEU . 40.9 mt -94.34 -39.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.543 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -117.83 89.77 34.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.94 -39.69 58.98 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.541 2.161 . . . . 0.0 112.552 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -150.62 80.25 6.93 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.94 145.55 50.65 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.229 1.952 . . . . 0.0 111.346 177.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.425 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.3 p30 -83.19 155.35 66.94 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 620' ' ' LEU . 5.0 Cg_endo -46.2 -43.82 20.51 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.235 2.623 . . . . 0.0 113.309 -176.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . 0.591 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.64 -17.39 51.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 111.66 -175.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.89 -36.65 67.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.575 0.702 . . . . 0.0 110.116 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.4 mt -67.36 -19.73 65.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.864 -176.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 2.6 pptp? -97.51 7.58 46.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -97.11 144.94 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -64.55 -38.99 92.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.339 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 624' ' ' ARG . 0.4 OUTLIER -56.52 -49.96 73.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.099 0.476 . . . . 0.0 110.344 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.48 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.2 tmt? -66.87 -40.76 87.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.23 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -39.37 70.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.757 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -55.68 -37.98 69.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 625' ' ' MET . 24.5 tp -59.71 -43.18 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.67 0.272 . . . . 0.0 110.385 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.14 -38.23 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.27 -42.91 92.75 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.141 0.496 . . . . 0.0 109.893 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -64.56 -40.78 96.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.903 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.54 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 5.5 tmmm? -65.14 -41.21 94.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.355 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 2.8 mmmp? -63.86 -44.06 94.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.394 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.442 HG13 ' HE2' ' A' ' 656' ' ' LYS . 34.2 t -55.78 -46.9 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 174.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.464 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 17.9 tt0 -55.88 -41.28 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.43 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.47 57.87 Favored Glycine 0 C--N 1.328 0.121 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.906 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.0 -37.9 89.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.675 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.455 ' HE2' ' HB3' ' A' ' 639' ' ' MET . 39.3 ttp -62.37 -46.58 88.02 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.978 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.504 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 6.6 m-85 -56.39 -35.4 67.69 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.64 -43.6 84.22 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.308 0.575 . . . . 0.0 110.877 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -90.2 -51.13 5.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.3 -171.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -51.08 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.094 0.557 . . . . 0.0 111.942 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 69.09 -17.55 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.3 m -133.75 158.31 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.931 -0.48 . . . . 0.0 110.001 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -66.21 -49.28 67.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.15 -45.33 88.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.184 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.33 -35.78 65.54 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.683 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -54.48 -52.16 62.77 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.462 0.574 . . . . 0.0 110.047 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.835 ' HE1' HD12 ' C' ' 138' ' ' LEU . 55.7 t80 -66.02 -44.32 85.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -58.14 -47.01 84.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.213 -175.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.77 -38.96 90.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.023 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.98 -44.57 88.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.047 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.413 ' HB1' ' CE1' ' C' ' 134' ' ' TYR . . . -64.11 -40.82 97.03 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.181 0.515 . . . . 0.0 110.561 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.508 ' OE1' HD21 ' C' ' 128' ' ' LEU . 10.8 tp10 -62.61 -46.51 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.097 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.442 ' HE2' HG13 ' A' ' 635' ' ' VAL . 2.9 ttmp? -65.67 -50.42 65.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.596 -175.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.6 pt -63.02 -37.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.76 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -65.21 -47.23 77.61 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.123 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -64.23 -40.58 96.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 111.352 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.969 HD13 HD12 ' B' ' 845' ' ' LEU . 18.6 mt -69.4 -48.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.292 0.568 . . . . 0.0 110.279 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -55.96 -40.62 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 662' ' ' LYS . 9.2 tmtt? -58.55 -40.59 83.45 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.79 -40.85 96.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.467 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.95 -41.77 98.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.038 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.67 -45.18 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.209 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -39.63 88.12 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -64.56 -40.75 96.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.261 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -77.4 -48.34 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.354 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.901 -171.862 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 21.4 mt . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.969 HD12 HD13 ' A' ' 660' ' ' ILE . 2.4 mt -78.33 138.76 59.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 111.098 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -78.46 173.22 14.07 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.87 2.38 . . . . 0.0 113.144 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 8.6 p -55.32 -43.27 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.11 -48.91 70.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.45 -39.65 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.082 0.467 . . . . 0.0 110.214 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 26.0 mmt -64.34 -43.45 94.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.99 -40.04 83.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.41 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.28 -49.96 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.239 0.337 . . . . 0.0 111.688 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 611' ' ' ILE . 12.3 p -65.42 -39.55 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.591 -177.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.84 -38.6 91.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 110.843 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -77.22 -41.14 42.44 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.67 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.511 . . . . 0.0 110.937 -174.054 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 . . . . . 0 CA--C 1.531 0.229 0 CA-C-O 121.205 0.526 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.99 -39.79 75.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.908 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.642 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 7.6 pt -57.13 -39.12 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 117.6 0.182 . . . . 0.0 111.249 -170.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.508 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.8 mm? -55.29 -39.32 69.74 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.467 0.48 . . . . 0.0 110.702 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -56.0 -33.69 65.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.265 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -138.77 60.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.489 0.661 . . . . 0.0 109.558 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.642 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.7 103.72 55.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.481 -176.419 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo . . . . . 0 C--N 1.345 0.393 0 C-N-CA 123.866 3.044 . . . . 0.0 114.379 -172.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.588 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 75.8 t80 . . . . . 0 C--O 1.225 -0.199 0 CA-C-O 120.793 0.33 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' C' ' 135' ' ' ARG . 39.5 ttp180 -60.85 -44.48 96.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.584 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -56.24 -53.76 53.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.432 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.73 -32.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.835 HD12 ' HE1' ' A' ' 650' ' ' TYR . 8.6 tp -57.95 -46.03 85.71 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 110.689 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.39 -51.65 62.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.803 0.335 . . . . 0.0 111.878 176.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.71 -49.54 65.72 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.607 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 20.0 tp -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.265 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 75.1 p -77.16 -2.58 35.1 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.43 -174.485 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 CA--C 1.536 0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.428 HG13 HD23 ' A' ' 599' ' ' LEU . 24.8 t -80.07 134.89 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.7 p -99.26 163.05 12.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.703 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.55 -39.37 76.52 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.1 -46.04 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 595' ' ' VAL . 46.9 tp -56.24 -43.55 78.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.43 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 604' ' ' VAL . 10.1 mtm180 -63.11 -46.22 88.33 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.6 t -55.53 -39.37 70.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.903 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -62.56 -44.53 96.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 0.0 109.986 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.447 HD13 HD12 ' A' ' 653' ' ' LEU . 20.4 mt -66.95 -40.72 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.627 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-O 121.165 0.507 . . . . 0.0 109.896 176.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -59.74 -42.0 92.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.655 ' HD3' HD11 ' C' ' 141' ' ' LEU . 98.3 mttt -59.64 -38.21 80.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.086 175.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -43.09 99.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 109.927 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.33 -47.93 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.986 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -54.51 -36.02 63.77 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.881 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.16 68.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.057 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.507 HD11 HD13 ' B' ' 845' ' ' LEU . 37.6 mt -94.39 -41.62 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.437 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.09 94.36 48.58 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.33 -40.82 13.74 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.421 2.081 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -149.5 98.66 3.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.421 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 2.5 Cg_endo -81.99 139.89 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.768 2.312 . . . . 0.0 111.948 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.485 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.1 p-10 -81.91 158.68 67.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.964 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.1 Cg_endo -45.65 -41.54 19.04 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.431 2.754 . . . . 0.0 113.866 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 621' ' ' LYS . . . -78.74 -23.7 45.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 -175.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.15 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.572 0.701 . . . . 0.0 110.237 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 615' ' ' PRO . 3.9 mt -67.23 -26.51 66.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.993 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 618' ' ' ALA . 19.9 pttp -93.84 5.83 50.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.476 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 10.5 t0 -94.88 145.88 24.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.92 -38.19 84.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.198 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.476 ' HG2' ' CG ' ' A' ' 622' ' ' ASP . 12.8 ptt180 -55.58 -40.44 72.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.281 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 629' ' ' VAL . 15.7 tpt -65.95 -41.91 90.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.611 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.24 -41.38 88.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.985 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -56.98 -40.87 77.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.468 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.81 -46.56 84.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.642 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 625' ' ' MET . 2.5 t -64.18 -38.38 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 120.847 0.356 . . . . 0.0 110.236 177.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.15 96.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.908 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.61 97.6 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.039 0.447 . . . . 0.0 109.899 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.55 -44.91 89.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.757 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -60.99 -48.84 79.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.48 ' O ' ' HG2' ' A' ' 639' ' ' MET . 75.9 t -57.81 -39.76 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.504 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -54.46 -40.7 68.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.897 0.379 . . . . 0.0 110.031 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -42.78 96.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.5 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.72 -40.25 95.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.433 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.0 mmt -66.11 -47.53 73.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.538 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.78 -43.33 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.253 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.65 -47.86 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.65 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 22.4 t -88.06 -30.23 20.07 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -168.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.25 3.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.228 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 57.0 9.37 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.703 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 4.4 m -144.61 149.58 35.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -65.3 -49.97 67.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.885 0.374 . . . . 0.0 110.355 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.24 -42.69 93.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.09 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.669 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.02 -43.99 91.64 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.672 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.852 ' CE1' HD12 ' C' ' 138' ' ' LEU . 58.1 t80 -65.07 -41.48 95.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.365 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -59.61 -49.31 78.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.849 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.43 -43.29 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' A' ' 639' ' ' MET . 85.8 mt -66.57 -41.88 87.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.388 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.72 93.45 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.057 0.456 . . . . 0.0 110.211 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.753 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 33.8 tt0 -64.34 -43.64 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.877 177.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -65.59 -50.7 64.13 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.467 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.6 pt -64.87 -37.97 81.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.563 -176.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.555 ' O ' ' HG2' ' A' ' 662' ' ' LYS . 54.2 t80 -64.31 -50.63 67.09 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.656 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -56.18 -49.19 74.72 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.397 0.436 . . . . 0.0 111.607 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.73 HG21 HD12 ' B' ' 845' ' ' LEU . 29.4 mt -68.3 -46.48 80.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 -173.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 6.3 tp-100 -55.68 -43.7 76.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.029 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 658' ' ' TYR . 32.5 mmmt -61.94 -38.93 90.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.617 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.22 -42.97 99.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.188 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.66 -39.47 88.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.476 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 669' ' ' ARG . 81.7 mt-10 -61.65 -50.97 70.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.276 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -39.27 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -58.31 -45.48 87.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -73.67 -29.51 62.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.389 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 665' ' ' GLU . 69.4 mtt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.567 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . 0.498 HG23 HG12 ' A' ' 660' ' ' ILE . 4.4 mt . . . . . 0 N--CA 1.462 0.172 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.73 HD12 HG21 ' A' ' 660' ' ' ILE . 4.1 mt -77.37 131.37 72.02 Favored Pre-proline 0 N--CA 1.453 -0.284 0 CA-C-O 120.734 0.302 . . . . 0.0 110.417 177.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.84 162.67 38.86 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.686 2.257 . . . . 0.0 112.963 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -54.57 -39.99 68.31 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -54.96 -44.19 74.13 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.26 -40.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.108 0.48 . . . . 0.0 110.173 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -40.04 79.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.505 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 8.8 m-20 -53.7 -38.37 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.846 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -60.17 -52.35 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.291 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.88 -38.89 76.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.732 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.607 0.241 . . . . 0.0 110.492 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -74.33 -46.87 38.07 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.343 0.592 . . . . 0.0 111.389 178.8 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.633 0.254 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.09 -40.21 80.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.2 pt -62.73 -39.98 86.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' C' ' 128' ' ' LEU . 0.6 OUTLIER -66.49 -41.0 89.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.7 t -57.0 -25.97 59.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.789 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -153.45 77.99 1.14 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.019 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 19.9 tpt180 -112.17 122.27 37.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.761 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 49.5 Cg_exo . . . . . 0 C--N 1.345 0.379 0 C-N-CA 123.488 2.792 . . . . 0.0 113.354 -176.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.753 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 21.9 m-85 . . . . . 0 C--O 1.211 -0.936 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -55.76 -40.11 72.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -64.39 -61.1 2.43 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.045 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 45.1 pt -76.03 -37.32 33.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.852 HD12 ' CE1' ' A' ' 650' ' ' TYR . 4.1 tp -53.3 -47.9 68.84 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.85 0.296 . . . . 0.0 110.504 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.0 -53.8 27.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.86 -51.09 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.742 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 57.5 tp -57.62 -39.11 76.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.388 -176.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 94.0 p -84.74 -6.63 59.36 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 122.059 -0.4 . . . . 0.0 111.864 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -170.754 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.848 0.356 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.3 t -120.59 99.58 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.9 p -102.56 168.69 9.12 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.839 -166.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -56.69 -39.31 73.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.784 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . 0.49 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 19.7 t70 -60.94 -50.34 73.81 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.02 -49.53 76.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 604' ' ' VAL . 77.4 mtp180 -59.32 -38.85 81.33 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.997 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.7 m -54.56 -38.65 66.91 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.046 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.49 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 52.1 m-70 -64.51 -42.91 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.25 0.547 . . . . 0.0 109.804 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.741 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 29.4 mt -66.94 -45.11 78.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.697 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.74 -40.71 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -59.83 -43.69 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.741 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 0.0 OUTLIER -59.76 -35.74 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -49.61 74.53 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.06 -49.13 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.651 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -55.42 -37.54 67.79 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.495 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.09 72.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.433 ' CD1' HD13 ' B' ' 845' ' ' LEU . 44.5 mt -95.52 -38.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.794 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.27 87.36 23.86 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -59.33 -41.28 60.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.619 2.213 . . . . 0.0 112.453 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.6 t -147.43 90.5 5.24 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.01 135.29 40.22 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.527 2.152 . . . . 0.0 111.729 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.42 164.82 31.17 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.15 -38.62 71.41 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.187 1.925 . . . . 0.0 113.18 -175.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -76.87 -21.25 55.25 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.201 -0.312 . . . . 0.0 111.561 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.98 60.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 109.945 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.45 -16.3 64.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.109 -175.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.439 ' HD2' ' C ' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -99.61 1.3 43.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 624' ' ' ARG . 10.2 t70 -95.25 139.64 31.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.263 0.554 . . . . 0.0 110.736 -170.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -60.81 -38.91 87.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.917 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' A' ' 622' ' ' ASP . 55.4 mtt180 -66.07 -40.33 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -66.41 -42.51 87.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.84 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -57.31 -40.89 78.81 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.791 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -58.26 -38.7 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.334 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.69 -47.4 81.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.467 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.75 -37.6 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 121.117 0.484 . . . . 0.0 110.08 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.491 ' HA ' ' HD2' ' A' ' 633' ' ' LYS . . . -64.16 -39.22 93.54 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.597 0.713 . . . . 0.0 109.619 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.48 -38.91 91.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.044 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.57 84.16 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' A' ' 630' ' ' ALA . 12.0 mttm -61.75 -48.09 82.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.271 0.558 . . . . 0.0 110.428 177.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.68 -47.58 76.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.314 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.95 -41.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.02 -39.5 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.478 0.656 . . . . 0.0 109.819 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -62.56 -41.87 99.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.76 -0.734 . . . . 0.0 111.934 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.84 -39.47 77.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.087 0.47 . . . . 0.0 110.373 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.474 ' HE2' ' HD2' ' A' ' 656' ' ' LYS . 24.7 mmt -64.88 -52.84 54.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.614 -174.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -66.23 -39.79 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.167 -176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.5 mt-10 -60.74 -39.34 88.32 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.787 0.327 . . . . 0.0 111.432 -176.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.0 p -95.59 -22.54 17.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.917 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.01 -69.05 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.94 0.98 1.32 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.174 0.59 . . . . 0.0 112.066 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.1 m -158.24 151.33 22.84 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -65.43 -42.15 92.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.15 -43.09 96.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.3 -37.42 87.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.973 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.72 -49.97 71.6 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.257 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.535 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 83.0 t80 -65.0 -43.58 92.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.785 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -55.9 -49.23 74.01 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.058 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.78 -40.8 95.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.601 ' O ' HG12 ' A' ' 657' ' ' ILE . 11.3 mt -63.65 -49.75 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.907 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.79 96.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.82 -51.1 63.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.323 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.474 ' HD2' ' HE2' ' A' ' 639' ' ' MET . 27.9 ttmt -68.15 -44.96 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.482 -175.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 653' ' ' LEU . 37.6 pt -59.75 -39.18 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.182 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -62.4 -40.17 95.64 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 117.864 0.302 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.57 -50.45 73.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.674 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.788 HD13 HD12 ' B' ' 845' ' ' LEU . 20.0 mt -69.6 -42.62 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.435 0.636 . . . . 0.0 110.231 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.394 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.38 -43.35 96.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.034 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' B' ' 850' ' ' MET . 47.4 mt -62.81 -39.71 95.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.834 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.47 -49.41 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.898 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -39.65 88.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.067 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.3 -41.86 99.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.444 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -74.32 -29.91 61.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.165 0.507 . . . . 0.0 109.842 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.771 178.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 29.2 pt . . . . . 0 C--O 1.232 0.174 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.788 HD12 HD13 ' A' ' 660' ' ' ILE . 2.6 mt -77.09 126.0 85.97 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 -173.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -79.52 175.07 11.07 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.811 2.341 . . . . 0.0 113.418 -174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.7 m -54.84 -40.19 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.84 -49.55 70.8 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.4 mm -65.06 -40.89 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.569 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.414 ' HG3' ' CD2' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -60.86 -43.27 98.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.506 176.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.403 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -60.54 -50.36 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.28 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.29 -38.74 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.269 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . 0.414 HD23 ' O ' ' B' ' 850' ' ' MET . 3.7 mm? -63.65 -39.41 94.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.909 176.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.2 -30.01 68.99 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 110.721 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.443 176.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 121.34 0.591 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -55.16 -40.81 71.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.625 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.666 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 6.0 pt -59.93 -41.3 85.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.649 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.48 HD12 ' CE2' ' C' ' 134' ' ' TYR . 2.1 mm? -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.357 . . . . 0.0 110.464 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 16.5 m -60.8 -23.79 65.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.07 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -140.45 55.03 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.53 0.681 . . . . 0.0 109.83 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -114.83 100.78 53.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.891 -178.207 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' C' ' 131' ' ' ARG . 18.5 Cg_endo . . . . . 0 CA--C 1.529 0.265 0 C-N-CA 122.639 2.226 . . . . 0.0 113.262 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.523 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 36.4 t80 . . . . . 0 C--O 1.225 -0.217 0 CA-C-O 120.494 0.188 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -59.97 -41.29 91.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' C' ' 136' ' ' LYS . 8.0 tmtm? -57.5 -56.33 23.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.27 -33.59 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.385 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 650' ' ' TYR . 19.3 tp -64.4 -49.73 70.42 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.884 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -65.47 -50.07 66.7 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.88 -48.48 74.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.331 0.586 . . . . 0.0 111.795 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.535 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 34.8 tp -67.38 -37.04 82.53 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.611 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 16.3 p -63.87 2.11 0.55 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -169.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 CA--C 1.549 0.923 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 178.165 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.6 m80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.833 0.349 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 46.6 t -120.66 104.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.2 p -102.04 168.26 9.51 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.954 -167.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.548 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -55.53 -39.79 70.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.797 175.111 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -58.97 -49.35 78.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.91 -49.17 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.01 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 604' ' ' VAL . 81.2 mtp180 -61.95 -43.04 99.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 47.7 m -58.63 -39.3 80.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.431 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 38.2 m170 -64.27 -40.06 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 653' ' ' LEU . 24.5 mt -65.48 -46.87 78.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.389 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -59.57 -40.65 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 120.887 0.375 . . . . 0.0 110.65 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -57.65 -39.79 77.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.553 ' HZ3' ' HG ' ' C' ' 141' ' ' LEU . 54.0 mtpt -64.1 -38.64 91.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.789 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -46.99 80.75 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.51 -45.68 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.446 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -55.67 -38.64 69.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.03 72.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.46 0.648 . . . . 0.0 110.534 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.433 ' CD1' HD11 ' A' ' 628' ' ' LEU . 48.3 mt -89.5 -36.04 8.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.492 -176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.11 84.97 55.02 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.012 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.18 -41.9 15.17 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.171 1.914 . . . . 0.0 112.556 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 39.1 p -131.61 75.14 77.09 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.302 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -80.87 140.86 13.03 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.78 1.653 . . . . 0.0 111.783 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.2 168.04 15.43 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.42 ' HA ' HD12 ' A' ' 620' ' ' LEU . 50.8 Cg_exo -51.97 -36.27 63.88 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.215 1.943 . . . . 0.0 113.164 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.7 56.07 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 122.195 -0.315 . . . . 0.0 111.238 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.76 -42.22 64.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.1 mt -65.39 -30.07 70.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.007 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -95.62 11.96 31.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.59 0.233 . . . . 0.0 111.46 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.67 133.46 35.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -39.72 83.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.68 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.18 -40.62 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 110.12 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 2.0 tmt? -65.75 -39.98 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.851 176.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.72 -39.76 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.285 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -58.82 -39.11 80.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 611' ' ' ILE . 41.4 tp -60.69 -42.14 96.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.057 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.53 -37.4 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.248 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.24 95.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 109.921 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.69 -40.02 91.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.016 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.69 88.94 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.248 0.546 . . . . 0.0 109.889 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 633' ' ' LYS . 13.5 tmtt? -59.25 -46.04 89.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.787 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -62.91 -49.04 76.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 78.0 t -57.24 -45.6 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.432 ' HG3' HG22 ' A' ' 604' ' ' VAL . 5.7 tm-20 -61.99 -39.61 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 109.806 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.09 -38.81 87.95 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.687 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.24 -37.93 81.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.482 0.658 . . . . 0.0 110.367 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.403 ' HE2' ' HD2' ' A' ' 656' ' ' LYS . 22.2 mmt -63.94 -49.02 74.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.959 -175.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.97 -39.69 94.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 47.3 mt-10 -64.61 -40.5 95.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.178 0.513 . . . . 0.0 110.915 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 -29.58 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.876 -174.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.33 -70.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.34 8.93 2.33 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.38 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.2 m -156.1 158.33 37.54 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -65.14 -49.79 68.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.739 0.304 . . . . 0.0 111.669 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.88 -43.32 96.41 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.567 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.13 -36.45 84.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.407 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.49 -50.44 73.05 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.46 ' HE2' ' CD1' ' C' ' 138' ' ' LEU . 55.9 t80 -65.88 -44.18 86.09 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.9 0.381 . . . . 0.0 110.417 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -61.82 -44.73 96.26 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.615 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.23 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 657' ' ' ILE . 14.0 mt -59.32 -49.28 78.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.17 96.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.098 0.475 . . . . 0.0 110.308 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.54 ' OE2' HD21 ' C' ' 128' ' ' LEU . 18.6 tp10 -59.98 -51.34 70.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.827 -177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 20.9 ttmt -68.26 -43.32 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.489 -176.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.3 pt -62.18 -39.34 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.519 ' CE2' ' HG2' ' C' ' 131' ' ' ARG . 6.6 t80 -60.47 -39.56 88.08 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.369 0.532 . . . . 0.0 111.192 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.491 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 0.8 OUTLIER -58.94 -50.92 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.882 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.815 HD13 HD12 ' B' ' 845' ' ' LEU . 23.8 mt -68.98 -44.37 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.459 0.647 . . . . 0.0 110.183 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -54.67 -40.93 69.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.145 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 110.092 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 16.3 tt0 -65.62 -38.73 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.787 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.582 HD21 ' SD ' ' B' ' 850' ' ' MET . 31.2 mt -56.55 -41.83 77.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.24 -45.87 89.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.1 -38.85 92.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.806 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -57.27 -49.06 77.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.66 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -73.52 -23.21 59.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 110.191 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.056 178.069 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 50.4 pt . . . . . 0 C--O 1.233 0.21 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.815 HD12 HD13 ' A' ' 660' ' ' ILE . 2.6 mt -79.07 122.16 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.523 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.65 173.87 10.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.567 2.178 . . . . 0.0 112.773 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 26.8 t -57.79 -41.47 82.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -49.02 71.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 46.0 mm -65.42 -41.28 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 110.741 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.582 ' SD ' HD21 ' A' ' 664' ' ' LEU . 30.7 mmt -65.19 -38.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.468 -178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.34 -37.76 62.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.942 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -57.44 -49.81 75.06 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.142 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . 0.533 HG12 ' O ' ' B' ' 850' ' ' MET . 9.2 p -66.45 -39.69 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.17 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . 0.404 HD23 ' O ' ' B' ' 850' ' ' MET . 4.0 mm? -55.92 -38.98 70.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 175.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' B' ' 855' ' ' LYS . 4.3 ttmp? -99.62 17.97 19.18 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.261 0.553 . . . . 0.0 110.497 -174.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 . . . . . 0 C--N 1.326 -0.425 0 O-C-N 122.109 -0.37 . . . . 0.0 110.807 -178.224 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.965 0.412 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -56.47 -40.25 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.66 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.71 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.5 OUTLIER -65.62 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.603 HD22 HG12 ' C' ' 127' ' ' ILE . 2.2 mm? -66.88 -45.99 76.35 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.365 0.602 . . . . 0.0 110.186 -176.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 37.6 m -57.88 -34.53 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.129 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' C' ' 130' ' ' ARG . 4.7 tpm_? -131.44 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.71 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 12.3 tpt180 -112.97 119.08 43.48 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo . . . . . 0 C--O 1.236 0.396 0 C-N-CA 123.21 2.607 . . . . 0.0 113.557 -172.682 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.593 ' CZ ' HD12 ' C' ' 128' ' ' LEU . 24.4 t80 . . . . . 0 C--O 1.225 -0.205 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -64.04 -41.95 97.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.167 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.84 -43.87 90.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.4 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . 0.657 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 29.3 pt -75.16 -40.96 44.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.668 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 14.3 tp -55.63 -47.92 75.81 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -63.72 -49.4 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.36 -42.08 93.17 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.413 0.625 . . . . 0.0 111.197 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.657 ' HB2' ' O ' ' C' ' 137' ' ' ILE . 12.8 tp -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.551 -171.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 2.2 p -68.47 -26.81 65.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.418 0.628 . . . . 0.0 111.542 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.316 -0.875 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.278 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 74.9 t -103.09 113.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.527 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 45.8 p -97.33 176.89 5.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -175.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -62.15 -38.94 90.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.65 -48.28 81.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.717 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 49.6 tp -61.89 -40.73 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.46 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 604' ' ' VAL . 77.2 mtp180 -63.75 -50.53 68.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.471 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 41.7 t -55.66 -42.03 74.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.364 -177.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 42.1 m80 -65.53 -40.35 92.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.501 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.91 -46.89 76.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.927 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.8 t -64.15 -40.52 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.108 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.29 -46.09 83.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.488 ' HD3' HD11 ' C' ' 141' ' ' LEU . 97.5 mttt -56.4 -39.26 72.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.943 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.5 95.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.945 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.33 -49.19 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 175.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 612' ' ' PHE . 16.5 mm100 -55.36 -37.31 67.32 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.333 0.587 . . . . 0.0 110.523 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.13 -39.73 79.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.006 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 31.8 mt -90.99 -36.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.243 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -126.7 102.85 25.07 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.399 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 20.8 Cg_endo -58.25 -41.62 64.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.723 2.282 . . . . 0.0 112.869 -174.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.9 t -162.7 89.17 1.32 Allowed Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 121.287 0.565 . . . . 0.0 111.147 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.72 146.01 59.14 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.472 2.114 . . . . 0.0 111.904 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -86.01 161.58 49.34 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.032 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.513 ' HA ' HD12 ' A' ' 620' ' ' LEU . 51.3 Cg_exo -51.45 -37.6 62.04 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 113.543 -175.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.65 -21.46 44.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.0 -0.437 . . . . 0.0 110.994 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.72 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.437 0.637 . . . . 0.0 110.1 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.1 mt -65.83 -22.41 66.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.284 -175.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -99.17 10.81 40.7 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.88 143.37 26.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.671 0.272 . . . . 0.0 110.364 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.26 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.156 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -66.41 -41.35 89.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.46 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.8 tmt? -66.14 -38.92 89.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.002 176.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.96 -39.45 68.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.648 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -58.48 -38.32 77.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 625' ' ' MET . 21.0 tp -63.5 -49.46 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.19 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -40.49 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.521 0.677 . . . . 0.0 110.861 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.17 82.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.232 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.69 -42.65 99.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.129 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.11 95.12 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.209 0.528 . . . . 0.0 110.108 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -62.58 -43.97 97.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.09 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.6 -42.83 95.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 111.297 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.453 ' O ' ' HG2' ' A' ' 639' ' ' MET . 54.7 t -59.15 -44.76 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.437 177.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.068 0.461 . . . . 0.0 109.981 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.06 95.94 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.115 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.46 -38.92 89.0 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 26.0 mmt -56.05 -45.17 79.33 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.628 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -55.76 -41.44 73.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.988 0.423 . . . . 0.0 111.02 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.55 -47.36 73.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 10.8 p -88.04 -53.21 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.411 ' HB2' HD12 ' A' ' 652' ' ' LEU . . . -56.13 -48.26 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.4 t30 72.41 -29.57 0.2 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.491 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 10.7 m -125.35 159.67 31.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.997 0.362 . . . . 0.0 110.71 -173.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.505 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 62.2 mtp180 -66.57 -51.16 59.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.46 -41.62 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 110.449 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.41 -35.76 81.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.293 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 646' ' ' ARG . 16.6 t80 -55.32 -47.72 75.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.328 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.73 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 39.1 t80 -67.24 -43.81 80.99 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.036 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -57.42 -44.78 84.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.743 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 643' ' ' ALA . 38.6 mt -64.58 -38.3 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.18 -42.37 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.716 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.32 90.79 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.091 0.472 . . . . 0.0 110.702 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.762 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 30.9 tt0 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.624 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -63.49 -49.39 73.74 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.976 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 33.7 pt -64.0 -38.53 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.635 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -59.88 -44.03 94.44 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 117.779 0.263 . . . . 0.0 111.046 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -55.93 -49.16 74.26 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 111.408 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.443 HD13 HD11 ' B' ' 845' ' ' LEU . 42.9 mt -65.6 -51.23 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.489 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -56.79 -40.85 76.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.021 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.39 -49.63 74.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -64.74 -40.12 94.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.963 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.25 -41.74 80.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.982 0.42 . . . . 0.0 110.43 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.81 -47.64 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -39.55 94.99 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.265 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -73.28 -31.26 63.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.157 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.704 -179.549 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.636 HD12 ' H ' ' B' ' 845' ' ' LEU . 0.4 OUTLIER -88.94 143.28 31.19 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.61 167.68 7.92 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.308 2.005 . . . . 0.0 112.199 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.3 t -54.5 -37.86 65.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.306 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -53.59 -46.76 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.473 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.99 -44.48 96.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.046 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -63.27 -43.28 98.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.5 178.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.87 -41.04 97.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.066 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.53 -45.92 85.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.921 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.78 -38.66 89.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.459 172.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . 0.511 ' HA ' ' HE3' ' B' ' 855' ' ' LYS . 0.1 OUTLIER -68.87 -24.15 64.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -176.247 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 7.1 t30 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.353 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 . . . . . 0 C--O 1.237 0.434 0 CA-C-O 121.286 0.565 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.79 -41.54 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 113.658 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 7.0 pt -59.1 -40.46 80.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.323 0.51 . . . . 0.0 110.842 -175.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.431 HD12 ' CZ ' ' C' ' 134' ' ' TYR . 0.6 OUTLIER -65.12 -40.56 94.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.323 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 11.2 t -56.08 -37.84 69.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.316 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -152.79 89.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.458 0.647 . . . . 0.0 110.169 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.614 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.32 130.01 24.06 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.245 179.221 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo . . . . . 0 C--N 1.347 0.453 0 C-N-CA 122.59 2.193 . . . . 0.0 111.923 177.26 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.762 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 10.5 m-85 . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 120.918 0.39 . . . . 0.0 110.19 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -53.69 -40.1 65.72 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -76.56 -60.3 2.4 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.86 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . 0.526 HG13 ' N ' ' C' ' 138' ' ' LEU . 28.5 pt -77.71 -50.76 19.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.206 -173.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.526 ' N ' HG13 ' C' ' 137' ' ' ILE . 9.2 tp -56.02 -42.74 76.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.129 0.422 . . . . 0.0 111.479 -172.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -63.99 -52.73 58.22 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.702 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.02 -46.52 70.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 111.518 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.488 HD11 ' HD3' ' A' ' 606' ' ' LYS . 20.2 tp -62.0 -38.27 87.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.407 -170.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.73 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 6.4 p -66.84 -33.62 76.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.333 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 83.7 t60 . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 121.076 0.465 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 68.9 t -101.38 122.78 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.087 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.459 ' HB ' ' NE2' ' A' ' 597' ' ' GLN . 38.6 p -107.82 170.08 8.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.234 -176.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.459 ' NE2' ' HB ' ' A' ' 596' ' ' THR . 0.9 OUTLIER -55.97 -40.31 73.07 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.085 0.24 . . . . 0.0 111.098 179.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.49 -49.85 76.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.01 -40.83 81.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.457 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 604' ' ' VAL . 41.3 mtp180 -62.84 -45.14 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.41 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.0 m -58.36 -40.66 82.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.147 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.558 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 90.5 m-70 -64.8 -40.63 95.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.125 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.409 HD23 ' HD3' ' A' ' 606' ' ' LYS . 22.0 mt -65.38 -49.08 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.968 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -60.8 -40.54 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.489 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -58.49 -39.89 81.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.676 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 29.1 mtpp -57.43 -40.13 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 177.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.53 HD11 ' HZ2' ' A' ' 656' ' ' LYS . 7.5 mt -63.3 -51.04 67.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.445 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.54 -49.02 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.355 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.92 -39.02 76.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.184 0.516 . . . . 0.0 110.526 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.6 94.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.475 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 46.7 mt -86.82 -36.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.076 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.4 OUTLIER -130.56 104.11 16.07 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 19.0 Cg_endo -56.83 -40.83 81.39 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.159 2.572 . . . . 0.0 113.553 -170.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.8 t -157.75 90.81 2.3 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 121.369 0.604 . . . . 0.0 111.258 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 137.88 36.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 111.706 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -84.19 164.58 42.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.203 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.67 -36.04 40.0 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.513 2.142 . . . . 0.0 113.81 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.97 -23.43 31.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.311 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.33 70.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.553 0.692 . . . . 0.0 109.958 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.76 -26.52 65.27 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.883 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -94.19 -0.37 55.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.135 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.15 148.69 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.184 0.516 . . . . 0.0 110.74 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -62.99 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.48 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.432 ' HG2' ' CE1' ' B' ' 852' ' ' PHE . 0.3 OUTLIER -58.65 -45.17 89.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 17.0 tpt -59.77 -39.01 83.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.927 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.94 -38.67 67.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -57.76 -40.16 79.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.64 -48.68 73.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.395 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.73 -38.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.106 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.538 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -60.4 -39.98 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.091 -176.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.39 84.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -175.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 5.0 mtpt -64.5 -46.23 83.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.081 0.467 . . . . 0.0 110.357 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -58.89 -49.78 76.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.317 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -46.55 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.596 ' HA ' ' OE1' ' A' ' 636' ' ' GLU . 0.7 OUTLIER -64.3 -39.46 93.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 -177.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.61 -37.22 74.84 Favored Glycine 0 CA--C 1.516 0.148 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.9 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.65 -37.58 79.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.186 -0.507 . . . . 0.0 112.058 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.53 ' HG3' HD21 ' A' ' 653' ' ' LEU . 22.4 mmt -55.63 -40.91 72.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -55.19 -39.55 69.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.66 -40.58 88.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.6 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.7 p -88.22 -36.64 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.21 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.17 -9.21 1.18 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.306 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 39.9 m -155.35 157.92 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.01 -0.431 . . . . 0.0 109.978 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 22.6 ttp180 -66.68 -46.42 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.646 0.26 . . . . 0.0 111.529 -177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.37 -40.07 96.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.123 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.27 -37.31 87.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.941 0.401 . . . . 0.0 110.003 173.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 17.9 t80 -57.36 -50.25 73.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.729 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 89.7 t80 -66.28 -41.04 90.4 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.193 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -56.5 -47.27 79.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.241 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.44 -38.77 92.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.3 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 649' ' ' TYR . 86.7 mt -66.21 -39.92 89.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.406 ' HB1' ' CE2' ' C' ' 134' ' ' TYR . . . -59.47 -47.19 86.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.043 177.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.572 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 34.4 tt0 -59.31 -40.26 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.442 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.53 ' HZ2' HD11 ' A' ' 607' ' ' LEU . 29.6 ttpt -64.03 -49.17 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.783 -178.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 44.4 pt -65.12 -37.77 81.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.843 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.69 -39.38 93.79 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.069 0.395 . . . . 0.0 110.302 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.585 ' HG2' HG22 ' B' ' 844' ' ' ILE . 0.2 OUTLIER -62.1 -41.1 97.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 177.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.511 HG12 HD11 ' B' ' 845' ' ' LEU . 36.6 mt -64.27 -48.66 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.553 0.692 . . . . 0.0 109.532 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.41 -47.57 69.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.919 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 662' ' ' LYS . 65.7 mmtt -65.35 -39.28 92.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.46 -43.1 93.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.036 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.9 mt -62.58 -41.32 98.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.403 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.07 -50.48 71.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.652 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -38.7 91.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.677 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -64.18 -43.61 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.24 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -76.1 -26.54 56.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.197 0.522 . . . . 0.0 110.152 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.471 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . 0.585 HG22 ' HG2' ' A' ' 659' ' ' LYS . 30.8 pt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.787 0.327 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 660' ' ' ILE . 3.8 mp -76.89 124.79 87.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.971 -164.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.51 178.48 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.732 2.288 . . . . 0.0 112.277 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -57.14 -48.32 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -173.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.02 -49.65 68.42 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.18 -40.5 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.088 0.47 . . . . 0.0 110.47 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.414 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 4.5 mmt -64.08 -41.07 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.912 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.76 -39.72 74.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.208 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . 0.432 ' CE1' ' HG2' ' A' ' 624' ' ' ARG . 27.3 t80 -62.58 -49.88 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.793 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.22 -38.06 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.13 -38.84 91.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.142 -0.349 . . . . 0.0 111.122 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -72.59 -45.21 60.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . 0.401 ' ND2' ' HZ ' ' A' ' 612' ' ' PHE . 6.3 t30 . . . . . 0 C--N 1.324 -0.543 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' C' ' 125' ' ' ARG . 37.6 ttp180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.545 0.212 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.83 -42.6 79.92 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.712 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.657 HG12 HD22 ' C' ' 128' ' ' LEU . 0.6 OUTLIER -64.21 -40.17 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.209 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.657 HD22 HG12 ' C' ' 127' ' ' ILE . 2.7 mm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 32.2 t -61.16 -31.18 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -129.14 54.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.491 0.662 . . . . 0.0 110.073 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 17.5 tpt180 -106.21 122.96 40.49 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.652 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--N 1.342 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 111.84 -178.202 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.572 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 7.7 m-85 . . . . . 0 C--O 1.224 -0.241 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -54.49 -39.97 68.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' C' ' 136' ' ' LYS . 0.0 OUTLIER -72.19 -67.17 0.56 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.87 174.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . 0.435 HG13 ' N ' ' C' ' 138' ' ' LEU . 47.0 pt -78.13 -47.78 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.586 HD12 ' CE2' ' A' ' 650' ' ' TYR . 6.1 tp -57.01 -48.65 77.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 117.688 0.222 . . . . 0.0 111.487 -173.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -65.06 -53.09 51.0 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.88 -47.09 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.162 0.506 . . . . 0.0 112.077 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.524 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 59.0 tp -62.02 -41.36 98.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.729 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 70.8 p -77.17 -3.0 37.32 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.101 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 121.125 0.488 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.417 HG13 HD23 ' A' ' 599' ' ' LEU . 40.5 t -107.91 131.66 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 82.4 p -90.07 172.31 8.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.416 -171.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.554 HE21 ' H ' ' A' ' 598' ' ' ASP . 1.3 pm0 -61.95 -37.8 86.09 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . 0.554 ' H ' HE21 ' A' ' 597' ' ' GLN . 25.6 t70 -58.52 -49.12 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.753 -174.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.417 HD23 HG13 ' A' ' 595' ' ' VAL . 29.6 tp -58.62 -43.12 89.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.589 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.523 ' O ' HG23 ' A' ' 604' ' ' VAL . 19.8 mtm180 -65.55 -41.13 93.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.2 m -55.56 -40.42 71.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 110.511 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -64.67 -40.74 95.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.501 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 603' ' ' LEU . 14.9 mt -64.84 -48.97 72.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.367 -178.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -57.11 -44.64 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.044 0.45 . . . . 0.0 110.322 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.6 t-80 -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.477 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -58.03 -40.45 80.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.944 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.3 OUTLIER -55.92 -49.76 72.57 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.65 -43.76 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.414 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.1 mm100 -56.83 -41.36 77.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.195 0.521 . . . . 0.0 111.341 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.85 91.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.906 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 607' ' ' LEU . 45.1 mt -79.5 -35.18 16.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.759 -175.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -132.16 100.93 15.24 Favored Pre-proline 0 N--CA 1.449 -0.495 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 24.4 Cg_endo -59.92 -34.5 95.22 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.988 2.459 . . . . 0.0 113.277 -175.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.2 t -171.58 94.17 0.42 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.309 0.576 . . . . 0.0 110.43 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.19 128.07 4.8 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.076 1.85 . . . . 0.0 113.113 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.59 155.04 15.13 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.963 170.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.477 ' HA ' HD12 ' A' ' 620' ' ' LEU . 9.5 Cg_endo -53.83 -38.28 85.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.594 2.196 . . . . 0.0 111.48 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -58.28 -34.02 70.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -74.14 -49.71 22.58 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 110.38 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.4 mt -54.32 -30.86 52.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 3.82 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 110.859 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 619' ' ' ALA . 18.7 t0 -96.2 141.18 29.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.66 -174.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -57.95 -38.36 75.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.309 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.458 ' HD2' ' CE1' ' B' ' 852' ' ' PHE . 60.7 mtm180 -59.06 -44.51 91.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.109 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 629' ' ' VAL . 16.3 tpt -65.13 -42.53 93.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.86 -45.33 78.5 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -61.96 -38.65 89.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.74 -49.91 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.064 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 625' ' ' MET . 3.4 t -57.27 -38.48 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.547 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -62.2 -39.02 91.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.431 0.634 . . . . 0.0 110.286 -176.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 635' ' ' VAL . 35.0 t80 -60.72 -44.37 96.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.949 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.29 89.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.863 -174.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.547 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 6.1 mtpt -64.85 -49.35 70.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -60.09 -46.35 89.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.344 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 631' ' ' TYR . 67.6 t -63.6 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.341 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.03 -39.53 66.26 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.04 96.96 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.25 -39.54 89.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 110.731 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.4 mmt -64.26 -51.08 65.33 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.86 -174.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -55.66 -46.6 77.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.877 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.01 -49.5 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.911 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 39.8 m -75.73 -36.52 59.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -60.94 -59.31 5.58 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.56 -17.01 0.5 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.681 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 11.8 m -132.83 156.06 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -66.37 -50.64 62.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -61.02 -46.65 89.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -174.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.49 -37.08 86.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.65 -49.57 77.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.142 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.577 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 76.4 t80 -65.84 -43.49 88.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 109.963 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -57.81 -48.29 80.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.792 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.8 -51.26 70.08 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.051 0.219 . . . . 0.0 111.27 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.96 -40.66 87.53 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.99 97.16 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 110.202 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.593 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 40.9 tt0 -64.46 -40.82 96.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.293 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -64.7 -50.59 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.859 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.74 -40.64 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.363 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.448 ' HB3' ' OH ' ' C' ' 134' ' ' TYR . 74.7 t80 -66.08 -45.2 82.13 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.27 0.486 . . . . 0.0 110.969 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -55.05 -51.09 67.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.769 HG21 HD12 ' B' ' 845' ' ' LEU . 18.5 mt -68.92 -42.91 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.007 0.432 . . . . 0.0 111.07 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.99 -44.1 74.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -64.78 -39.78 94.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.145 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 17.3 tp10 -57.99 -40.86 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.574 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.08 -42.41 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.451 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.52 -46.74 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.563 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.0 OUTLIER -61.97 -39.6 92.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.956 178.536 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.71 -45.78 81.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.005 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -77.38 -29.44 53.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.34 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 . . . . . 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.201 -179.095 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 38.0 pt . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 660' ' ' ILE . 3.3 mt -74.56 115.01 39.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.628 0.251 . . . . 0.0 110.356 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' B' ' 850' ' ' MET . 24.7 Cg_exo -64.16 169.43 10.7 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 0.0 113.412 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.4 m -54.33 -40.53 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.23 0.331 . . . . 0.0 111.456 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.9 -49.62 70.76 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.468 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.2 -39.73 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.047 0.451 . . . . 0.0 110.493 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 846' ' ' PRO . 10.4 mmt -56.46 -38.11 71.22 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.129 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -54.78 -39.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.355 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . 0.458 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 12.0 m-30 -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.287 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.57 -44.0 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.608 0.242 . . . . 0.0 111.57 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.46 -40.88 96.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -95.2 17.52 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.337 0.589 . . . . 0.0 110.773 -173.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.536 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.789 0.328 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -56.38 -40.31 74.37 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.901 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.494 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 2.0 pt -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.486 HD22 HG12 ' C' ' 127' ' ' ILE . 1.5 mm? -65.46 -41.98 92.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.92 -176.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 28.1 t -63.28 -14.54 50.73 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.86 48.03 1.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.519 ' NE ' ' HA ' ' C' ' 131' ' ' ARG . 0.0 OUTLIER -114.53 105.21 53.92 Favored Pre-proline 0 C--N 1.323 -0.563 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.443 -178.646 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' C' ' 131' ' ' ARG . 52.7 Cg_endo . . . . . 0 N--CA 1.464 -0.207 0 C-N-CA 122.482 2.121 . . . . 0.0 112.1 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.625 ' O ' ' HB3' ' C' ' 138' ' ' LEU . 49.3 m-85 . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 120.673 0.273 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.01 -39.19 68.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -68.7 -65.7 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.968 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . 0.436 HG13 ' N ' ' C' ' 138' ' ' LEU . 41.5 pt -85.71 -46.99 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.625 ' HB3' ' O ' ' C' ' 134' ' ' TYR . 1.8 tp -58.36 -42.03 86.04 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.998 0.428 . . . . 0.0 111.091 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.32 -50.96 61.85 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.87 -0.519 . . . . 0.0 111.658 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.28 -50.23 61.19 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.544 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 53.1 tp -62.55 -39.75 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.874 -172.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.56 -21.3 64.55 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 89.1 p . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.137 -175.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.5 HG13 HD23 ' A' ' 599' ' ' LEU . 34.6 t -86.3 134.89 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -96.79 167.97 10.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -61.02 -38.31 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.86 -46.02 85.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.679 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.5 HD23 HG13 ' A' ' 595' ' ' VAL . 44.8 tp -55.0 -46.71 75.18 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 110.422 178.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 604' ' ' VAL . 48.4 mtm105 -62.46 -43.49 98.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.251 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 30.8 m -58.38 -40.09 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -64.05 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 653' ' ' LEU . 17.3 mt -64.35 -42.05 96.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.343 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.5 t -62.63 -42.88 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.885 0.374 . . . . 0.0 110.392 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -62.15 -40.97 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.53 -38.89 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.65 175.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -47.68 84.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.897 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.14 -46.11 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.279 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.665 HE21 ' HA ' ' A' ' 609' ' ' GLN . 0.0 OUTLIER -55.05 -37.69 67.05 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.026 0.441 . . . . 0.0 110.497 179.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.17 -38.71 77.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.599 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.4 mt -86.99 -38.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -127.68 108.18 20.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.181 -176.004 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.4 Cg_endo -62.8 -41.56 29.67 Favored 'Trans proline' 0 N--CA 1.473 0.266 0 C-N-CA 122.768 2.312 . . . . 0.0 112.585 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.1 t -160.65 107.25 1.32 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.81 143.23 23.34 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 111.991 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -83.25 162.55 53.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.421 ' HA ' HD12 ' A' ' 620' ' ' LEU . 48.5 Cg_exo -53.5 -39.15 83.29 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.234 1.956 . . . . 0.0 113.044 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.24 57.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -42.39 63.28 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.432 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.9 mt -65.88 -28.99 69.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.925 -173.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.477 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -91.38 0.47 57.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.905 0.384 . . . . 0.0 111.259 -179.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 11.7 t70 -96.56 148.61 22.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.514 -172.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.13 -36.85 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.427 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.82 -47.03 74.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.898 0.38 . . . . 0.0 110.173 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.433 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.8 tpt -65.41 -41.85 93.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.746 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 40.5 mt-10 -58.96 -41.04 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.61 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -63.69 -39.29 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.155 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.21 -46.9 87.22 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.281 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 625' ' ' MET . 3.2 t -64.08 -38.39 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.512 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.02 -40.74 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.922 0.391 . . . . 0.0 110.239 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.78 94.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.229 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.77 -46.7 84.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.105 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 34.8 mmtp -63.19 -46.88 85.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.975 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.28 -43.11 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.522 ' HA ' ' CE ' ' A' ' 639' ' ' MET . 1.5 tm-20 -55.55 -39.83 71.12 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.84 -44.68 97.09 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.774 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.9 -42.89 84.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 110.82 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.522 ' CE ' ' HA ' ' A' ' 636' ' ' GLU . 67.9 mtm -64.27 -41.47 96.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.159 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.28 -42.98 87.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.184 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.3 -40.75 81.66 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.5 p -89.05 -21.75 23.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 -63.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 74.3 -29.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.035 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.3 m -132.53 158.45 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.973 -0.455 . . . . 0.0 109.931 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.01 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 0.0 110.75 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -64.16 -40.81 96.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.642 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.55 -37.71 79.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.338 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.533 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 1.0 OUTLIER -59.27 -50.09 75.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.387 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.712 ' HE2' HD12 ' C' ' 138' ' ' LEU . 67.8 t80 -65.28 -39.46 92.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.189 177.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -56.25 -45.24 80.12 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.7 -39.07 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 603' ' ' LEU . 96.5 mt -62.83 -40.67 98.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.419 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' C' ' 134' ' ' TYR . . . -62.96 -49.35 75.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.625 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.78 -38.63 91.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 5.3 tmtm? -64.02 -48.23 77.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 34.0 pt -65.35 -40.07 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.979 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.8 -38.1 89.85 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 121.955 -0.466 . . . . 0.0 111.079 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -56.53 -44.39 80.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.775 HG12 HD12 ' B' ' 845' ' ' LEU . 7.6 mt -63.46 -48.47 86.93 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.395 0.617 . . . . 0.0 109.553 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.2 -42.51 69.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.045 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -64.36 -41.63 96.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 32.1 tp10 -65.01 -42.76 94.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.996 0.426 . . . . 0.0 110.447 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.5 -42.17 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.177 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.0 tp10 -64.44 -43.01 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.252 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.1 OUTLIER -62.87 -39.9 95.87 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.177 -179.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -61.47 -40.09 93.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.867 0.365 . . . . 0.0 110.494 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -67.63 -34.34 76.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 77.6 mtp180 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.341 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 121.137 0.494 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.775 HD12 HG12 ' A' ' 660' ' ' ILE . 0.0 OUTLIER -103.14 165.44 13.6 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.045 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.17 139.78 33.01 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.525 2.15 . . . . 0.0 111.453 173.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 17.0 p -54.81 -38.25 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.793 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.59 -43.9 72.55 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.259 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.9 mm -64.66 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.292 0.568 . . . . 0.0 109.768 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 31.4 mmt -64.86 -40.29 94.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -58.3 -39.27 78.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.381 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.12 -48.85 74.49 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.262 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.72 -38.58 82.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.96 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 110.768 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.25 -39.64 74.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.959 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 120.807 0.337 . . . . 0.0 110.733 -177.889 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.694 0.283 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.01 -40.41 73.34 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.454 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.694 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 3.6 pt -63.45 -37.91 80.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.587 HD12 ' CD1' ' C' ' 134' ' ' TYR . 1.6 mm? -68.49 -42.54 78.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.137 -175.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.7 m -55.44 -40.22 71.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.173 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.51 49.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 109.964 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.694 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.13 101.1 52.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.906 177.466 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.478 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 58.0 Cg_exo . . . . . 0 C--N 1.344 0.336 0 C-N-CA 123.173 2.582 . . . . 0.0 112.663 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.607 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 91.2 t80 . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.856 0.36 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -57.9 -42.68 85.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.749 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 29.1 mtpp -61.23 -55.21 34.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.23 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.7 pt -66.76 -32.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.712 HD12 ' HE2' ' A' ' 650' ' ' TYR . 11.3 tp -62.91 -42.51 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.233 0.54 . . . . 0.0 111.049 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -66.7 -52.51 43.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.62 -51.36 51.12 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.665 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 33.8 tp -60.03 -40.13 88.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.901 -173.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.44 -15.1 63.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.989 0.423 . . . . 0.0 111.745 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.314 -0.964 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.089 -173.331 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.3 t60 . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 120.606 0.241 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.84 122.72 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.932 -0.48 . . . . 0.0 110.176 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -103.14 167.44 9.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.873 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -59.86 -39.53 85.52 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -49.93 70.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 32.9 tp -55.56 -46.08 77.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.034 0.445 . . . . 0.0 110.317 178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.588 ' O ' HG23 ' A' ' 604' ' ' VAL . 43.7 ttp180 -58.84 -46.76 86.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.9 m -57.61 -38.55 75.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.457 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.748 0.308 . . . . 0.0 110.306 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.12 -41.31 95.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.281 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -62.74 -40.27 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.864 177.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -59.48 -40.16 86.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.276 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -61.4 -37.17 82.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.16 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.2 OUTLIER -55.11 -44.45 74.97 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.421 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . 0.474 HG21 HG13 ' A' ' 629' ' ' VAL . 52.8 t -64.83 -46.14 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.894 0.378 . . . . 0.0 111.429 176.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -55.72 -38.29 69.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.04 86.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.761 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 607' ' ' LEU . 31.6 mt -82.87 -36.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.437 -175.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.28 99.24 6.51 Favored Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.57 -41.42 48.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 112.96 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.5 t -157.81 104.59 1.77 Allowed Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.155 0.502 . . . . 0.0 111.689 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.432 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 1.7 Cg_endo -83.9 145.78 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 171.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -81.46 166.4 38.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.135 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 620' ' ' LEU . 75.8 Cg_exo -47.74 -34.79 22.13 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.717 2.278 . . . . 0.0 113.903 -177.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.94 -27.52 28.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.934 -0.479 . . . . 0.0 110.837 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.96 65.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.548 . . . . 0.0 110.14 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.4 mt -59.24 -37.36 77.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.064 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -94.99 16.8 15.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.63 154.12 17.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -55.35 -38.72 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.233 0.333 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' B' ' 852' ' ' PHE . 9.9 tpp180 -58.4 -40.37 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.003 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.9 tpt -66.02 -44.83 83.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.589 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -63.56 -43.93 95.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . 0.474 ' ND2' HD11 ' B' ' 849' ' ' ILE . 37.7 t30 -61.0 -39.51 89.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.876 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 41.9 tp -60.25 -49.83 76.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 625' ' ' MET . 2.5 t -65.63 -40.16 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.549 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.491 0.662 . . . . 0.0 110.099 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.69 -39.87 81.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.406 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.92 93.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.448 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.569 ' HD2' ' H ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -65.44 -40.91 93.83 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.842 0.353 . . . . 0.0 110.437 178.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.81 -49.67 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.547 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.51 -46.45 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 173.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.4 -40.03 70.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.737 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.52 -49.16 75.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.165 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.25 -39.82 86.2 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 122.157 0.979 . . . . 0.0 109.554 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 11.3 ttp -65.98 -50.55 63.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.511 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -58.73 -39.46 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.7 mt-10 -66.34 -40.03 89.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.9 m -83.25 -25.59 31.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.628 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.97 5.93 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.527 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 61.6 t30 69.27 -18.68 0.19 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.71 178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.6 m -148.29 167.48 25.06 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.834 -0.541 . . . . 0.0 110.825 -175.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -64.83 -50.27 67.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.747 0.308 . . . . 0.0 111.777 -175.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.98 -46.51 90.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.627 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.5 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.182 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.2 t80 -58.13 -51.03 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.076 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 1.074 ' HE1' HD12 ' C' ' 138' ' ' LEU . 57.9 t80 -65.2 -42.07 93.92 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 11.4 t-160 -58.19 -46.59 85.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.055 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.09 -39.84 93.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.449 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.614 ' O ' HG12 ' A' ' 657' ' ' ILE . 41.7 mt -59.69 -47.21 86.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.292 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.21 97.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.405 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.722 ' OE1' HD11 ' C' ' 128' ' ' LEU . 50.6 mm-40 -64.5 -49.42 71.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.85 -48.0 70.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.31 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 653' ' ' LEU . 39.7 pt -64.47 -40.68 89.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.189 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -65.64 -41.07 93.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 117.966 0.348 . . . . 0.0 110.669 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -56.02 -51.13 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.793 HD13 HD12 ' B' ' 845' ' ' LEU . 20.6 mt -69.55 -43.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.233 0.539 . . . . 0.0 110.361 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -53.88 -45.35 71.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.789 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -62.67 -40.93 98.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.379 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.86 -43.89 97.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.334 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.478 HD21 ' SD ' ' B' ' 850' ' ' MET . 81.8 mt -63.02 -39.92 96.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.663 176.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 15.1 tp10 -64.13 -50.74 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.208 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -39.25 93.98 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.045 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -64.31 -40.2 95.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -78.07 -30.92 49.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 21.8 mmm180 . . . . . 0 C--N 1.327 -0.383 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.456 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . 0.505 ' HA ' HD11 ' A' ' 660' ' ' ILE . 33.0 pt . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.793 HD12 HD13 ' A' ' 660' ' ' ILE . 3.5 mt -77.13 131.4 72.72 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.018 0.437 . . . . 0.0 111.731 -168.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.15 168.14 22.28 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.11 2.54 . . . . 0.0 113.087 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.04 -43.55 73.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.11 -49.83 68.25 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . 0.474 HD11 ' ND2' ' A' ' 627' ' ' ASN . 28.8 mm -66.47 -40.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.478 ' SD ' HD21 ' A' ' 664' ' ' LEU . 6.1 mmt -64.97 -40.98 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.141 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.88 -38.8 76.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . 0.499 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 57.9 t80 -63.2 -43.2 98.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.627 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . 0.471 HG12 ' O ' ' B' ' 850' ' ' MET . 10.2 p -65.9 -38.57 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.808 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.22 -38.46 86.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 110.553 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -63.83 -30.69 71.75 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 120.942 0.401 . . . . 0.0 110.206 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -56.08 -39.23 71.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.974 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.495 HG13 ' HD3' ' C' ' 131' ' ' ARG . 1.6 pt -62.76 -38.32 81.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.819 0.342 . . . . 0.0 110.272 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.722 HD11 ' OE1' ' A' ' 655' ' ' GLU . 1.5 mm? -64.65 -41.36 96.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 110.112 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.3 m -56.38 -23.56 38.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.421 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -156.83 73.63 0.77 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.598 ' HB3' ' HB3' ' C' ' 134' ' ' TYR . 14.3 mtp180 -114.68 105.7 53.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 38.0 Cg_exo . . . . . 0 C--N 1.344 0.295 0 C-N-CA 123.189 2.593 . . . . 0.0 113.153 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 34.0 t80 . . . . . 0 C--O 1.224 -0.282 0 CA-C-O 120.609 0.242 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.416 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -58.6 -56.16 25.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 32.4 pt -70.78 -30.71 43.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.052 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 1.074 HD12 ' HE1' ' A' ' 650' ' ' TYR . 6.1 tp -56.42 -45.64 80.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.304 0.378 . . . . 0.0 111.087 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -65.98 -52.56 48.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.88 -53.58 20.37 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.598 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 22.8 tp -56.93 -38.49 72.97 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.573 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 57.7 p -70.91 -16.97 62.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.422 0.629 . . . . 0.0 110.765 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.317 -0.83 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.893 -177.102 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.1 t60 . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 42.6 t -110.48 120.75 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 74.5 p -102.64 155.06 18.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.205 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.493 HE21 ' H ' ' A' ' 598' ' ' ASP . 1.2 pm0 -58.17 -37.39 74.61 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.904 0.383 . . . . 0.0 110.074 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . 0.493 ' H ' HE21 ' A' ' 597' ' ' GLN . 20.4 t70 -57.25 -48.96 77.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.6 -41.94 82.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.413 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 604' ' ' VAL . 52.0 ttt180 -64.15 -48.53 75.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.3 m -56.97 -40.63 76.86 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -61.88 -39.81 93.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.59 -45.0 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.48 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -60.28 -40.95 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.701 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 11.7 m-70 -59.61 -42.47 92.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.248 176.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -63.09 -38.3 90.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -46.78 76.96 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.17 -48.22 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.498 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 14.6 mm100 -57.7 -39.46 77.22 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.033 0.444 . . . . 0.0 111.274 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.61 86.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 56.5 mt -82.82 -36.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.082 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.461 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -127.3 99.16 28.18 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.477 -176.658 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 19.7 Cg_endo -56.02 -38.61 94.48 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.934 2.423 . . . . 0.0 112.818 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.5 t -161.19 95.57 1.38 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.369 0.604 . . . . 0.0 111.086 177.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.56 137.05 62.03 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.567 2.178 . . . . 0.0 111.64 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . 0.506 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.3 p30 -84.92 162.33 50.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.878 -178.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.6 Cg_endo -45.95 -44.91 18.22 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.0 2.467 . . . . 0.0 113.455 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.33 56.92 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.51 -42.76 61.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.218 0.532 . . . . 0.0 109.943 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.5 mt -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.675 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -93.5 3.9 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.171 -179.726 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -96.8 137.08 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.395 0.617 . . . . 0.0 111.172 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 623' ' ' ARG . 3.9 ptp180 -63.54 -37.21 86.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.831 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -63.91 -40.28 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -65.96 -40.15 91.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.133 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -54.17 -39.92 67.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -55.7 -38.59 69.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.332 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.68 -44.96 94.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.792 0.33 . . . . 0.0 110.314 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.3 -38.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.219 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.3 93.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.224 0.535 . . . . 0.0 110.028 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -65.4 -40.51 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.22 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.54 94.4 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.194 0.521 . . . . 0.0 109.849 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.69 -47.55 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.006 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.1 -45.28 95.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.303 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.77 -44.24 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -55.81 -39.27 71.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.07 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.45 -43.61 90.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.276 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.18 -39.59 94.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.94 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 23.9 mmt -65.09 -50.4 66.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.402 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.09 -44.65 97.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.872 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.73 -40.41 88.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 8.2 t -87.2 -30.97 20.59 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.559 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -63.5 -69.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 t30 60.93 6.69 1.27 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.036 0.534 . . . . 0.0 112.076 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.2 m -147.09 151.04 36.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 646' ' ' ARG . 46.8 mtm105 -65.01 -48.27 74.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 111.509 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.68 -49.09 79.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.447 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.89 -36.74 85.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.739 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . 0.446 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.1 t80 -56.1 -51.24 68.61 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.955 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.664 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 88.0 t80 -66.42 -42.59 87.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 110.593 175.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -59.02 -42.66 90.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.593 -175.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.67 -43.62 92.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.678 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.438 ' O ' HG12 ' A' ' 657' ' ' ILE . 55.2 mt -65.19 -41.22 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.58 81.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.979 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.17 -41.01 95.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -65.33 -48.47 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.362 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.1 pt -64.38 -38.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.144 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.18 -44.85 90.75 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.182 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 1.3 tmtp? -55.33 -50.53 69.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.797 HD13 HD12 ' B' ' 845' ' ' LEU . 21.1 mt -69.12 -45.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.979 0.418 . . . . 0.0 110.396 -177.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -54.27 -48.87 70.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.47 -40.34 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 0.0 110.206 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 35.4 tt0 -64.85 -40.36 95.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.031 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.715 HD21 ' SD ' ' B' ' 850' ' ' MET . 99.1 mt -58.67 -46.01 88.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.454 176.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.27 -40.78 94.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.922 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.51 -39.53 93.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.04 -40.27 94.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -179.035 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -73.45 -26.85 61.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.41 0.624 . . . . 0.0 109.776 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 669' ' ' ARG . 40.7 ttm180 . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 44.7 pt . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.797 HD12 HD13 ' A' ' 660' ' ' ILE . 3.6 mt -78.51 119.06 75.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -168.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -78.91 178.14 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.766 2.311 . . . . 0.0 111.928 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 29.4 t -55.97 -48.72 75.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.793 -173.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -54.66 -49.85 69.61 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.35 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.234 0.54 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.715 ' SD ' HD21 ' A' ' 664' ' ' LEU . 10.5 mmt -65.5 -37.0 85.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.481 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.65 -38.41 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.19 -50.0 74.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.317 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 850' ' ' MET . 8.5 p -66.38 -38.41 81.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 120.741 0.305 . . . . 0.0 111.422 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.22 -39.71 94.54 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.6 0.238 . . . . 0.0 110.799 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -78.3 -51.79 9.6 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.612 0.244 . . . . 0.0 111.33 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 52.3 t30 . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 121.002 0.43 . . . . 0.0 110.402 -176.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 . . . . . 0 C--O 1.235 0.291 0 CA-C-O 120.869 0.366 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.23 -38.6 71.3 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -175.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.61 HG12 HD22 ' C' ' 128' ' ' LEU . 0.7 OUTLIER -61.73 -36.93 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.61 HD22 HG12 ' C' ' 127' ' ' ILE . 2.6 mm? -67.71 -42.71 81.52 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.828 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.8 t -68.14 -17.31 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.527 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . 0.58 ' O ' ' HD3' ' C' ' 132' ' ' PRO . 3.4 tpm_? -115.08 68.14 0.7 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.554 ' HB2' ' HB3' ' C' ' 134' ' ' TYR . 24.8 ptt180 -109.52 97.02 25.18 Favored Pre-proline 0 N--CA 1.445 -0.689 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.387 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.672 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.448 -1.157 0 C-N-CA 122.761 2.307 . . . . 0.0 110.114 168.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.554 ' HB3' ' HB2' ' C' ' 131' ' ' ARG . 73.3 t80 . . . . . 0 C--O 1.224 -0.285 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -53.37 -59.0 5.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . 0.434 HD12 HD11 ' A' ' 657' ' ' ILE . 21.6 pt -69.21 -37.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.351 -177.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.576 HD12 ' CE2' ' A' ' 650' ' ' TYR . 13.3 tp -60.94 -45.79 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 -178.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.6 -50.87 63.47 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.042 -0.411 . . . . 0.0 111.381 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.84 -51.79 51.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 20.9 tp -62.63 -39.16 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.862 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.664 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 78.8 p -76.69 -17.26 59.22 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 111.297 -175.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.32 -0.694 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.425 -171.462 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.0 t -122.34 124.49 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.4 p -100.89 159.99 14.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.747 0.308 . . . . 0.0 111.353 -175.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -62.91 -38.73 92.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.53 -43.83 80.23 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.635 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.76 -46.11 77.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.909 0.385 . . . . 0.0 110.225 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.629 ' O ' HG23 ' A' ' 604' ' ' VAL . 44.5 mtm180 -62.83 -41.21 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.686 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.8 m -56.63 -41.75 77.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.22 0.533 . . . . 0.0 110.747 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -65.56 -40.33 92.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.29 -43.54 90.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.648 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.8 t -59.69 -40.73 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.61 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.437 ' O ' ' HG3' ' A' ' 609' ' ' GLN . 26.2 m80 -61.71 -40.7 95.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.595 176.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -63.64 -39.5 94.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.79 -47.99 80.98 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.795 176.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.53 -47.21 93.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 605' ' ' HIS . 27.7 mt-30 -56.32 -38.66 71.61 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.032 0.444 . . . . 0.0 111.363 -177.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.66 79.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.743 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.417 HD13 HD11 ' B' ' 845' ' ' LEU . 50.9 mt -89.51 -35.0 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.519 -176.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.91 99.66 41.13 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.028 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.524 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 59.4 Cg_endo -70.4 -42.15 2.95 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 122.392 2.061 . . . . 0.0 113.222 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 41.6 p -105.66 86.28 1.76 Allowed Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 41.6 Cg_exo -59.04 150.06 75.62 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.002 1.802 . . . . 0.0 112.287 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -137.86 126.99 14.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.152 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.469 ' HA ' HD12 ' A' ' 620' ' ' LEU . 12.2 Cg_endo -56.71 -33.36 93.63 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.572 2.848 . . . . 0.0 113.774 -174.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.85 -19.25 24.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.718 0.294 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 625' ' ' MET . . . -73.37 -37.29 66.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.516 0.674 . . . . 0.0 109.872 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.3 mt -63.59 -20.5 65.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.542 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -100.17 7.82 44.28 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -95.94 145.26 25.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -58.73 -40.67 84.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -65.93 -50.67 63.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 111.148 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 619' ' ' ALA . 0.9 OUTLIER -66.21 -40.05 90.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.028 -179.199 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.65 -40.71 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.616 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.27 -37.77 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.028 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.85 -44.22 93.8 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.394 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.01 -37.32 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.101 0.477 . . . . 0.0 109.901 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.72 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.429 0.633 . . . . 0.0 109.555 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -62.28 -41.75 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.727 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.47 98.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 633' ' ' LYS . 4.2 tmtm? -64.35 -42.77 96.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.085 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -64.25 -42.84 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.56 -48.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.15 -42.62 86.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.22 -40.39 96.68 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.63 -46.44 87.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.651 0.262 . . . . 0.0 110.549 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.15 -40.48 94.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -55.56 -39.89 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.586 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.0 -42.28 94.61 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.682 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 15.1 m -90.01 -25.86 20.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.188 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.69 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.127 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 46.16 23.6 0.21 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.85 0.86 . . . . 0.0 112.9 -174.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 16.5 m -157.06 154.41 29.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -65.32 -51.15 62.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 0.0 111.626 -175.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.01 -40.7 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.312 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.06 -38.22 90.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -62.7 -50.04 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.856 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.515 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 75.8 t80 -64.93 -41.46 95.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -64.35 -39.54 94.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.354 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.77 -39.5 94.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.649 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 41.2 mt -63.19 -40.95 98.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.783 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.34 97.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.264 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.59 -49.56 72.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 29.9 ttmt -67.11 -40.51 86.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.507 -173.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -61.3 -40.94 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.885 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -65.93 -38.63 89.16 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 122.317 -0.239 . . . . 0.0 110.945 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.32 -50.21 70.18 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.31 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' B' ' 845' ' ' LEU . 69.0 mt -65.44 -49.38 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.987 0.422 . . . . 0.0 110.388 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.512 ' HA ' HD12 ' A' ' 664' ' ' LEU . 40.9 tt0 -55.02 -40.45 70.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.211 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.4 -47.87 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.157 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 28.9 tt0 -65.24 -38.51 90.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.775 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 661' ' ' GLN . 95.2 mt -54.48 -40.72 68.75 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.478 177.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.1 -49.24 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 1.0 OUTLIER -65.67 -43.24 89.92 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.662 -175.251 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.642 ' HE3' ' SD ' ' B' ' 850' ' ' MET . 1.1 ptpm? -64.85 -40.35 95.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.048 0.451 . . . . 0.0 110.44 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -72.86 -22.26 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.28 0.562 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.35 -179.785 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.478 ' HA ' ' HD3' ' B' ' 846' ' ' PRO . 3.7 mt -77.34 124.24 86.96 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.857 0.36 . . . . 0.0 111.294 -173.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 20.2 Cg_exo -65.94 169.22 13.73 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.024 2.483 . . . . 0.0 112.625 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.5 p -55.48 -40.79 72.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.678 0.275 . . . . 0.0 111.46 -176.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.67 -51.88 61.76 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.797 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.4 mm -67.45 -43.47 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.228 0.537 . . . . 0.0 110.927 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.642 ' SD ' ' HE3' ' A' ' 667' ' ' LYS . 3.6 mmt -64.56 -46.85 81.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.683 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.42 -39.98 81.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.589 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -64.64 -49.71 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.193 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.3 -38.97 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.252 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.0 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.93 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -91.59 34.9 0.96 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.252 0.548 . . . . 0.0 110.885 -175.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.771 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.104 0.478 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.16 -41.23 92.37 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.021 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.633 ' O ' ' HG3' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -64.63 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.0 109.894 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.536 HD22 HG12 ' C' ' 127' ' ' ILE . 0.8 OUTLIER -67.8 -38.29 83.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.146 -177.518 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 33.9 t -53.64 -34.0 57.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.186 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 130' ' ' ARG . 43.2 ttm180 -164.95 85.65 0.41 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 112.164 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' C' ' 127' ' ' ILE . 5.9 mtp180 -113.51 124.7 30.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 166.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo . . . . . 0 C--N 1.345 0.392 0 C-N-CA 123.154 2.569 . . . . 0.0 112.842 176.131 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' C' ' 138' ' ' LEU . 12.2 t80 . . . . . 0 C--O 1.228 -0.076 0 CA-C-O 120.845 0.355 . . . . 0.0 110.544 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.49 -41.17 93.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.66 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -57.16 -59.59 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.351 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 27.4 pt -66.97 -38.42 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.343 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' C' ' 134' ' ' TYR . 10.5 tp -57.22 -47.16 82.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.393 0.616 . . . . 0.0 111.686 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -56.71 -49.13 76.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.492 -176.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.35 -48.05 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.449 0.642 . . . . 0.0 111.104 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.515 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 11.2 tp -57.19 -42.18 80.75 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.61 -1.177 . . . . 0.0 112.838 -171.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 6.8 p -68.9 -30.21 68.64 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -174.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 C--N 1.314 -0.954 0 CA-C-O 120.724 0.297 . . . . 0.0 110.228 -173.44 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.857 0.361 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 60.8 t -127.94 125.06 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.3 p -99.0 154.22 18.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.157 0.504 . . . . 0.0 111.739 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -63.32 -36.82 84.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.372 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -55.9 -40.81 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.039 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 61.2 tp -57.54 -49.66 75.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.851 176.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.614 ' O ' HG23 ' A' ' 604' ' ' VAL . 56.0 mtm180 -62.9 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 20.0 m -57.97 -40.8 81.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.795 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.404 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 24.1 m80 -65.55 -40.79 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.488 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' A' ' 606' ' ' LYS . 17.7 mt -65.45 -48.03 74.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.218 -176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -58.59 -40.65 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.066 0.46 . . . . 0.0 110.173 177.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 20.0 t-80 -62.07 -41.33 98.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.425 ' HD2' HD23 ' A' ' 603' ' ' LEU . 68.2 mttm -59.61 -39.99 86.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.677 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -46.11 90.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.895 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.94 -47.36 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.385 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.3 mm100 -55.5 -37.39 67.8 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.082 0.467 . . . . 0.0 110.898 -177.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.27 71.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.5 mt -90.33 -39.63 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.206 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -124.09 102.83 33.79 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.9 Cg_endo -64.05 -36.02 50.73 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 122.603 2.202 . . . . 0.0 113.321 -176.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.4 t -141.69 105.38 5.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 121.405 0.621 . . . . 0.0 110.632 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.23 132.61 53.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.237 2.625 . . . . 0.0 113.038 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.23 137.02 20.33 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.532 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.43 ' HA ' HD12 ' A' ' 620' ' ' LEU . 6.8 Cg_endo -47.04 -47.76 16.05 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.074 2.516 . . . . 0.0 113.285 -174.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.27 -25.38 54.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.616 0.246 . . . . 0.0 111.354 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 625' ' ' MET . . . -72.72 -40.63 65.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.003 0.43 . . . . 0.0 110.109 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.7 mt -58.08 -36.6 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.211 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -93.44 12.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 -177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -98.39 155.34 17.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.52 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 623' ' ' ARG . 2.1 tmt_? -55.2 -38.65 68.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 0.0 110.091 174.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.712 ' HA ' ' OD1' ' A' ' 627' ' ' ASN . 30.4 mmt180 -57.67 -38.69 75.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.964 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.3 tpt -60.25 -43.23 96.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.061 175.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.28 -48.91 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -176.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . 0.712 ' OD1' ' HA ' ' A' ' 624' ' ' ARG . 2.2 p-10 -65.37 -38.66 90.73 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.887 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.7 -50.04 75.1 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.531 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 625' ' ' MET . 5.9 t -59.51 -37.4 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.394 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.32 82.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 635' ' ' VAL . 77.4 t80 -57.52 -44.05 84.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.144 175.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.75 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.268 0.556 . . . . 0.0 109.928 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -51.09 67.53 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.18 -45.04 88.24 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.934 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.584 ' O ' ' HG2' ' A' ' 639' ' ' MET . 71.6 t -57.9 -49.18 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.947 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.01 -40.73 77.22 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.955 0.407 . . . . 0.0 110.3 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.99 92.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.398 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.86 -39.72 91.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.812 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.4 mmt -57.09 -50.83 71.58 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -60.67 -39.7 89.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.039 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.31 -39.9 93.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.86 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 30.4 p -94.51 -47.95 6.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -171.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . 0.57 ' HA ' ' OE2' ' A' ' 648' ' ' GLU . . . -53.64 -60.94 2.66 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.712 0.405 . . . . 0.0 111.902 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.96 -9.7 0.45 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.701 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.0 m -132.53 147.22 52.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 647' ' ' ASP . 36.6 ptt180 -61.16 -49.56 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 646' ' ' ARG . 10.8 p-10 -63.2 -45.42 91.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.282 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.57 ' OE2' ' HA ' ' A' ' 643' ' ' ALA . 38.1 tt0 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.265 176.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.25 -49.99 75.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.729 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.738 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 83.2 t80 -65.66 -44.45 86.25 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.88 -42.9 76.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.188 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.25 -41.26 94.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.6 -43.44 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.46 86.18 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 121.014 0.435 . . . . 0.0 110.776 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.485 ' OE1' HD21 ' C' ' 128' ' ' LEU . 15.1 tp10 -61.97 -39.79 93.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.183 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -65.71 -47.92 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.871 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -64.05 -39.66 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.958 -175.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 1.229 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 7.0 t80 -64.55 -39.59 94.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.071 0.396 . . . . 0.0 110.708 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 659' ' ' LYS . 0.2 OUTLIER -55.51 -47.07 76.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.332 179.208 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.485 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 71.6 mt -65.8 -50.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 110.106 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.445 ' HA ' HD12 ' A' ' 664' ' ' LEU . 23.6 tp60 -55.01 -48.07 73.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.864 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . 1.229 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 56.8 mtpt -64.48 -39.36 93.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.36 . . . . 0.0 110.72 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.48 -40.72 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.057 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 86.5 mt -59.28 -47.38 85.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.573 176.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 33.4 tt0 -67.58 -49.8 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.169 -173.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -56.73 -40.27 75.43 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.483 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 22.0 pttm -64.95 -37.2 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.253 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -74.4 -25.62 59.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.118 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 32.5 mmt180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 174.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.461 0.102 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.571 ' H ' HD22 ' B' ' 845' ' ' LEU . 0.0 OUTLIER -79.42 158.3 74.08 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.764 -178.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.45 168.34 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.569 2.18 . . . . 0.0 113.017 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 t -57.43 -38.53 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.2 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.44 -48.56 65.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.182 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 7.6 mm -66.18 -40.32 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.218 0.532 . . . . 0.0 110.333 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.463 ' O ' HG12 ' B' ' 853' ' ' VAL . 3.6 mmt -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.623 -177.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.17 -39.12 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.573 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 624' ' ' ARG . 44.9 t80 -62.58 -49.18 76.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.441 -178.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . 0.463 HG12 ' O ' ' B' ' 850' ' ' MET . 8.6 p -64.15 -38.36 82.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.915 0.388 . . . . 0.0 110.798 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.12 -38.49 86.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -82.58 -10.51 58.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.689 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.234 0.54 . . . . 0.0 112.011 -177.496 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 121.09 0.472 . . . . 0.0 110.341 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.17 -39.37 69.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.56 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.7 pt -63.32 -40.21 88.2 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.096 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.555 HD12 ' CD1' ' C' ' 134' ' ' TYR . 2.0 mm? -62.46 -42.92 99.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.183 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -55.74 -24.72 36.73 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.768 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -142.62 59.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 109.766 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 1.4 tpm_? -112.67 99.61 48.17 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.175 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' C' ' 136' ' ' LYS . 76.9 Cg_exo . . . . . 0 C--N 1.343 0.264 0 C-N-CA 123.394 2.73 . . . . 0.0 113.748 -177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.555 ' CD1' HD12 ' C' ' 128' ' ' LEU . 58.3 t80 . . . . . 0 C--O 1.218 -0.557 0 N-CA-C 110.763 -0.088 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' C' ' 135' ' ' ARG . 23.7 ttt180 -61.87 -41.6 98.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.727 0.299 . . . . 0.0 110.611 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' C' ' 132' ' ' PRO . 8.2 tmtt? -59.14 -56.55 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.8 pt -67.24 -35.28 73.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.679 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.619 HD12 ' CE2' ' A' ' 650' ' ' TYR . 13.9 tp -57.39 -50.16 73.87 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 123.014 0.196 . . . . 0.0 111.229 -177.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.66 -52.61 50.37 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.96 -49.35 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.456 0.646 . . . . 0.0 112.076 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 tp -64.06 -37.82 88.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.574 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.738 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 84.9 p -70.2 1.13 5.12 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.558 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 CA--C 1.534 0.358 0 CA-C-O 121.052 0.454 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 599' ' ' LEU . 83.0 t -118.77 126.05 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 29.0 p -105.15 166.88 10.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.873 0.368 . . . . 0.0 111.814 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -64.34 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.589 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.48 -39.97 92.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.219 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.43 HD23 HG13 ' A' ' 595' ' ' VAL . 38.4 tp -57.86 -43.7 86.09 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.631 ' O ' HG23 ' A' ' 604' ' ' VAL . 93.9 mtt180 -61.38 -42.82 99.33 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.374 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.6 m -55.9 -39.76 72.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -64.72 -41.18 96.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.176 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.14 -44.1 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.93 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -61.89 -40.94 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-O 121.17 0.509 . . . . 0.0 109.942 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 14.1 t60 -60.09 -45.54 92.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.602 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.477 ' HD3' HD11 ' C' ' 141' ' ' LEU . 96.2 mttt -60.72 -37.27 81.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.568 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -48.21 78.81 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.42 -43.83 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.5 mm100 -55.9 -38.42 70.19 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.038 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.35 -36.58 71.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.565 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.475 ' CD1' HD11 ' A' ' 628' ' ' LEU . 14.5 mt -85.3 -31.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.396 -173.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -151.0 114.95 3.16 Favored Pre-proline 0 N--CA 1.47 0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 110.774 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.13 -30.27 88.68 Favored 'Trans proline' 0 N--CA 1.479 0.619 0 C-N-CA 123.461 2.774 . . . . 0.0 114.273 -174.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.9 t -135.04 102.97 10.81 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.408 0.623 . . . . 0.0 111.695 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.87 130.16 21.2 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.012 2.474 . . . . 0.0 112.481 177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -75.93 152.92 84.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 620' ' ' LEU . 31.5 Cg_exo -57.3 -32.77 94.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.616 2.211 . . . . 0.0 112.333 178.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.37 -19.92 35.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 110.794 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -39.62 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.451 . . . . 0.0 110.482 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.5 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.657 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -100.1 6.83 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -86.59 129.09 35.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.932 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 626' ' ' GLU . 10.5 mtp180 -61.04 -38.02 84.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.07 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -64.73 -40.11 94.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.121 0.486 . . . . 0.0 109.832 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 629' ' ' VAL . 2.0 tmt? -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.717 175.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 623' ' ' ARG . 30.2 tt0 -55.71 -42.65 75.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -58.21 -39.74 79.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.387 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 611' ' ' ILE . 25.3 tp -64.68 -43.77 92.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 625' ' ' MET . 2.6 t -59.51 -36.98 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 120.955 0.407 . . . . 0.0 109.973 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.26 96.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.984 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.41 -43.53 94.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.129 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.76 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.132 0.492 . . . . 0.0 110.199 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -64.9 -44.25 90.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.322 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -60.76 -49.27 78.17 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.768 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.78 -47.45 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.998 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -47.12 78.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.17 -50.05 53.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.17 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.7 -38.68 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.42 -0.39 . . . . 0.0 111.134 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 41.2 tpp -60.07 -49.53 77.28 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.004 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -57.52 -37.17 72.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.597 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.791 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 14.3 m -91.03 -30.67 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.693 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.32 2.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 122.788 0.435 . . . . 0.0 112.078 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.6 t30 72.56 -28.83 0.19 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.9 m -128.04 160.26 32.5 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.045 -0.409 . . . . 0.0 110.291 -172.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 646' ' ' ARG . 0.0 OUTLIER -66.27 -51.07 61.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 111.679 -175.363 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.5 -41.99 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.466 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.95 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.719 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.89 -49.7 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.266 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.559 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 83.5 t80 -64.95 -45.12 87.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.017 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -64.19 -41.24 97.17 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 -174.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.472 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 70.2 mt -65.09 -40.92 95.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.309 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 66.8 mt -66.78 -42.58 85.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.689 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.58 -43.87 96.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.942 0.401 . . . . 0.0 110.74 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.465 ' OE2' HD21 ' C' ' 128' ' ' LEU . 42.6 tt0 -64.05 -40.0 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 176.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -64.7 -50.72 65.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.744 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.4 pt -66.32 -38.74 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.693 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . 0.676 ' OH ' ' HD3' ' C' ' 131' ' ' ARG . 32.7 t80 -65.17 -49.3 70.33 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 120.537 0.208 . . . . 0.0 111.494 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.96 -43.85 86.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.583 -175.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 1.004 HG21 HD12 ' B' ' 845' ' ' LEU . 24.7 mt -69.19 -48.59 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 0.0 110.505 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -55.09 -44.6 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -56.64 -42.87 79.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.321 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 5.9 tp10 -65.53 -47.49 75.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.583 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.461 HD23 ' HD2' ' A' ' 667' ' ' LYS . 89.2 mt -56.95 -39.51 74.7 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.38 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.8 -48.42 81.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.43 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -39.72 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.31 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.461 ' HD2' HD23 ' A' ' 664' ' ' LEU . 68.5 mttm -56.56 -47.06 80.28 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.645 0.259 . . . . 0.0 111.305 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.72 -21.36 52.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 669' ' ' ARG . 41.7 ttp180 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 660' ' ' ILE . 3.1 mt . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 120.841 0.353 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 1.004 HD12 HG21 ' A' ' 660' ' ' ILE . 1.4 mt -80.82 147.32 62.01 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.66 151.17 86.32 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.964 2.443 . . . . 0.0 112.402 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.2 m -55.39 -39.62 70.38 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.408 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -59.91 -41.42 91.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.775 0.321 . . . . 0.0 111.515 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.8 mm -65.07 -40.97 90.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.547 ' HA ' ' HE3' ' B' ' 850' ' ' MET . 0.0 OUTLIER -58.44 -40.63 83.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 174.503 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 37.9 m-20 -55.24 -42.9 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.579 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -65.83 -52.2 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.301 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.75 -44.63 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.577 -176.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.3 -46.58 76.47 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -73.64 -60.17 2.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.014 -167.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 9.7 t30 . . . . . 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.682 -171.799 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.647 0.261 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.17 -41.29 71.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.175 -174.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.672 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 6.0 pt -66.61 -41.92 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.135 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.465 HD21 ' OE2' ' A' ' 655' ' ' GLU . 1.1 mm? -65.04 -38.14 89.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.445 -171.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 20.5 t -55.33 -17.1 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.15 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.79 45.43 2.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.676 ' HD3' ' OH ' ' A' ' 658' ' ' TYR . 4.2 mmp_? -112.47 102.86 54.99 Favored Pre-proline 0 N--CA 1.465 0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.478 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 CA--C 1.529 0.227 0 C-N-CA 122.833 2.355 . . . . 0.0 112.722 -179.421 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' C' ' 138' ' ' LEU . 83.7 t80 . . . . . 0 C--O 1.227 -0.116 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.461 ' C ' ' HD3' ' C' ' 135' ' ' ARG . 2.7 tmt_? -62.39 -42.83 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.701 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -52.87 -58.88 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.459 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.7 pt -69.11 -31.97 52.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.937 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.449 HD12 ' CE2' ' A' ' 650' ' ' TYR . 14.9 tp -57.93 -45.05 87.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.241 0.543 . . . . 0.0 110.846 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -66.58 -52.59 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.937 0.399 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' C' ' 143' ' ' SER . 16.4 m-20 -66.88 -47.14 72.75 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.489 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 8.7 tp -62.03 -36.71 82.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.437 -170.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 8.4 p -76.53 -1.95 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' C' ' 140' ' ' ASP . 21.2 t . . . . . 0 N--CA 1.465 0.284 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.7 t60 . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 120.927 0.394 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . 0.47 HG13 HD23 ' A' ' 599' ' ' LEU . 53.6 t -120.47 105.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.9 p -98.75 165.88 11.58 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.607 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -57.64 -37.67 73.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.771 173.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -55.62 -47.38 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.47 HD23 HG13 ' A' ' 595' ' ' VAL . 47.2 tp -59.78 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.688 176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.578 ' O ' HG23 ' A' ' 604' ' ' VAL . 37.3 mmm-85 -63.02 -49.67 73.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 10.9 t -58.25 -39.85 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.481 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -64.45 -40.01 94.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 18.5 mt -65.26 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.298 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.0 t -64.61 -41.26 91.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.379 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.04 -49.12 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 21.7 ptmt -61.68 -36.98 82.41 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -46.37 86.23 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.47 -45.16 98.61 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.825 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -55.76 -37.87 69.1 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.23 85.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.552 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.577 HG12 HG21 ' A' ' 660' ' ' ILE . 12.7 mt -84.47 -37.84 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.081 -176.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.83 104.82 9.79 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.07 -41.48 22.38 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 122.737 2.291 . . . . 0.0 113.775 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -155.07 90.53 2.99 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.798 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.91 147.08 26.67 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.686 2.257 . . . . 0.0 111.038 173.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.14 156.6 66.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.261 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 620' ' ' LEU . 50.2 Cg_exo -51.33 -38.12 61.86 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.511 2.141 . . . . 0.0 113.638 -173.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.77 -23.15 49.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.953 0.406 . . . . 0.0 110.58 -174.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.23 63.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.389 0.614 . . . . 0.0 110.013 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.7 mt -66.22 -25.44 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.588 -171.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -87.22 -6.25 58.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.356 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.539 ' OD1' ' HG2' ' A' ' 624' ' ' ARG . 14.5 t70 -95.23 155.31 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.51 0.672 . . . . 0.0 111.16 -172.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.462 ' HA ' ' OE1' ' A' ' 626' ' ' GLU . 38.5 ttm180 -58.08 -37.11 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.512 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.539 ' HG2' ' OD1' ' A' ' 622' ' ' ASP . 31.4 ptt180 -58.24 -41.36 84.01 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.855 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 77.1 mmm -67.34 -39.56 85.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.45 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' A' ' 623' ' ' ARG . 50.3 mt-10 -54.74 -40.49 69.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.683 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -62.03 -37.46 84.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 18.1 tp -61.0 -44.48 97.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.228 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.08 -38.2 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.266 0.555 . . . . 0.0 109.996 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -61.02 -43.14 99.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.246 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.47 95.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.053 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.91 -47.41 83.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.323 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -64.58 -45.66 86.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.027 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.4 -47.86 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.71 -39.06 87.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.208 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.7 -39.3 97.36 Favored Glycine 0 C--O 1.235 0.181 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.548 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.41 -39.95 85.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 21.6 mmt -59.23 -44.13 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -174.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.73 -39.79 74.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.253 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.53 -40.62 95.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -175.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.8 p -94.47 -29.05 15.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.039 0.447 . . . . 0.0 111.0 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.3 -67.53 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.784 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 64.0 t30 48.04 25.76 0.86 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.536 0.523 . . . . 0.0 112.12 -174.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 7.7 m -153.47 147.65 25.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -64.8 -47.09 79.35 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.13 -45.64 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.594 0.235 . . . . 0.0 110.984 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.12 -37.53 87.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.65 -49.29 75.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.57 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 64.5 t80 -64.97 -40.48 95.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.419 ' HD2' HD11 ' C' ' 138' ' ' LEU . 36.6 m170 -61.29 -40.96 96.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.321 -177.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . 0.435 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 54.5 mt -65.78 -39.54 91.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.493 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.438 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -58.12 -40.76 82.05 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.413 0.625 . . . . 0.0 109.997 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.545 ' OE1' HD21 ' C' ' 128' ' ' LEU . 12.6 tp10 -61.48 -42.1 98.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.347 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.98 -48.94 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.441 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 654' ' ' ALA . 37.6 pt -63.37 -40.99 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.131 -174.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.15 -38.83 91.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.209 0.458 . . . . 0.0 110.938 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -57.86 -44.31 86.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.628 HG12 HD11 ' B' ' 845' ' ' LEU . 59.2 mt -64.46 -51.52 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.273 0.559 . . . . 0.0 110.432 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 664' ' ' LEU . 8.5 tt0 -55.37 -41.04 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.146 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -57.01 -49.11 76.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.824 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.08 -39.55 93.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.472 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 661' ' ' GLN . 85.5 mt -54.2 -49.19 69.97 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.283 0.563 . . . . 0.0 109.879 176.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.39 -46.96 74.88 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.121 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -41.54 87.51 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.578 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.42 ' HD3' ' HG ' ' B' ' 854' ' ' LEU . 58.4 tttp -62.95 -42.31 99.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 111.202 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -77.76 -32.43 52.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.278 -178.826 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 N--CA 1.462 0.161 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.628 HD11 HG12 ' A' ' 660' ' ' ILE . 3.6 mp -93.97 143.73 26.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 111.787 -170.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 21.9 Cg_exo -65.48 154.7 72.5 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.6 2.2 . . . . 0.0 111.699 174.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -55.17 -49.99 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -171.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -54.96 -44.55 74.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -172.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.2 mm -64.22 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.17 0.51 . . . . 0.0 109.977 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.5 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 12.2 mmt -65.47 -40.42 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.972 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -59.15 -39.73 83.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . 0.403 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 10.7 t80 -60.28 -50.5 73.4 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.265 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.77 -43.67 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.719 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . 0.42 ' HG ' ' HD3' ' A' ' 667' ' ' LYS . 4.0 mm? -64.91 -38.56 91.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.494 0.188 . . . . 0.0 111.371 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.68 -10.97 60.36 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 110.797 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 56.4 t30 . . . . . 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.779 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 . . . . . 0 C--O 1.235 0.318 0 CA-C-O 120.967 0.413 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -56.35 -39.69 73.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.707 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.726 HG12 HD22 ' C' ' 128' ' ' LEU . 0.8 OUTLIER -64.49 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.726 HD22 HG12 ' C' ' 127' ' ' ILE . 3.9 mm? -63.29 -41.51 98.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -176.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -57.75 -16.4 11.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.17 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -119.8 30.38 7.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.458 0.647 . . . . 0.0 110.176 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.722 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 4.0 mmp_? -113.54 100.86 52.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.576 2.184 . . . . 0.0 112.133 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.646 ' CD1' HD12 ' C' ' 128' ' ' LEU . 58.4 t80 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.758 0.313 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.16 -41.76 89.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.75 -54.97 20.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.03 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' C' ' 141' ' ' LEU . 45.9 pt -67.94 -27.44 37.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.975 -174.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' A' ' 650' ' ' TYR . 18.7 tp -58.28 -50.16 74.58 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.557 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.09 -51.51 37.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.155 0.502 . . . . 0.0 111.779 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -47.94 72.19 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' C' ' 137' ' ' ILE . 37.1 tp -65.2 -40.99 94.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.247 -169.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 3.7 p -67.1 -33.82 76.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.645 -171.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 177.183 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 48.1 t60 . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.46 124.62 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 77.2 p -85.05 153.68 22.57 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.973 -171.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -38.13 87.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.12 -49.96 72.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.7 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.93 -45.02 91.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 604' ' ' VAL . 80.2 mtp180 -63.17 -48.5 78.15 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.105 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.4 t -57.34 -39.81 76.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.571 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -64.05 -40.69 96.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.021 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 603' ' ' LEU . 19.7 mt -65.61 -44.94 85.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.043 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.2 t -57.73 -43.91 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 25.4 m80 -62.69 -42.57 99.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 177.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.738 ' HD3' HD11 ' C' ' 141' ' ' LEU . 67.6 mttm -60.03 -38.93 84.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.085 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -47.62 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.73 -44.36 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.281 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.1 mm100 -58.41 -38.02 76.52 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.834 0.349 . . . . 0.0 111.625 -176.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.31 90.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.466 0.651 . . . . 0.0 110.373 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.3 mt -84.28 -29.22 7.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.223 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.2 87.5 33.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.768 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.07 -34.64 89.68 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.452 2.102 . . . . 0.0 112.394 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.3 p -124.72 77.32 64.62 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.09 151.13 49.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.018 1.812 . . . . 0.0 111.72 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -111.4 133.81 21.33 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.32 -28.51 53.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.454 2.77 . . . . 0.0 114.1 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.75 -12.41 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 111.478 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.18 67.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.64 -22.01 12.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -80.8 -22.49 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.956 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.17 148.25 50.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.515 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 623' ' ' ARG . 34.9 ttt180 -64.61 -40.79 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.362 -173.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.526 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.447 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -64.19 -40.81 96.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 0.0 109.795 176.536 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -56.01 -40.78 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.75 175.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.23 -38.35 86.33 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' A' ' 625' ' ' MET . 41.7 tp -60.79 -50.7 72.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.481 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.35 -37.96 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.394 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.28 94.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.408 ' O ' HG23 ' A' ' 635' ' ' VAL . 66.3 t80 -58.19 -44.25 87.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.454 177.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.79 96.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.217 0.532 . . . . 0.0 109.883 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.25 -46.79 85.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.845 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.9 -43.86 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.458 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 631' ' ' TYR . 60.6 t -58.54 -42.53 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.598 177.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 4.2 tp10 -54.56 -42.79 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.8 -51.27 41.84 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.114 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.8 -38.3 88.59 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.938 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 44.5 tpp -62.74 -49.58 74.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.767 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -55.17 -39.65 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.163 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.81 -39.76 91.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.422 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.2 p -85.81 -49.74 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.482 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -50.62 -68.56 0.16 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.664 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.28 13.45 5.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.518 0.675 . . . . 0.0 111.324 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 17.1 m -153.6 150.92 29.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -65.54 -46.44 79.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.62 0.248 . . . . 0.0 111.301 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.29 -45.06 89.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.307 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.27 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.506 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.81 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.745 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 62.8 t80 -66.87 -45.71 77.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.467 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -61.58 -44.67 96.6 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.175 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.55 -40.78 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.723 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.407 ' CD1' HD13 ' A' ' 603' ' ' LEU . 50.2 mt -66.72 -43.78 83.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.09 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.54 99.71 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.35 -40.58 93.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.53 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -64.27 -50.23 68.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.958 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 32.4 pt -66.02 -40.21 86.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.217 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -66.35 -44.83 82.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.829 0.286 . . . . 0.0 110.848 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -54.15 -50.75 66.24 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.281 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 0.923 HG21 HD12 ' B' ' 845' ' ' LEU . 17.4 mt -70.42 -46.6 70.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 0.0 110.751 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -55.25 -40.49 70.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.52 -43.89 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.264 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.14 -41.74 97.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.269 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 94.9 mt -58.73 -40.08 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.301 177.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.99 -50.83 62.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.76 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -40.51 96.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.238 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -62.37 -35.02 77.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 178.112 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -65.86 -16.05 63.47 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' A' ' 669' ' ' ARG . 6.1 mmp_? . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 121.048 0.451 . . . . 0.0 110.259 176.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.1 mt . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.923 HD12 HG21 ' A' ' 660' ' ' ILE . 4.2 mt -78.19 128.57 77.95 Favored Pre-proline 0 C--O 1.233 0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.056 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.67 175.0 11.69 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.892 2.394 . . . . 0.0 113.185 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 15.1 m -55.47 -45.09 76.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -172.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.91 -49.13 69.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 24.0 mm -64.81 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 110.472 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . 0.443 ' SD ' HD21 ' A' ' 664' ' ' LEU . 9.3 mmt -64.47 -40.72 96.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.578 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.1 -45.01 94.1 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . 0.531 HG13 HD22 ' B' ' 854' ' ' LEU . 7.9 p -64.22 -41.36 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.011 -176.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . 0.531 HD22 HG13 ' B' ' 853' ' ' VAL . 4.5 mm? -66.11 -38.4 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.55 0.214 . . . . 0.0 111.098 175.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -88.44 26.75 1.38 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.689 0.756 . . . . 0.0 110.512 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.744 177.065 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 121.02 0.438 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.67 -42.44 71.36 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.601 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.706 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.2 pt -65.11 -42.43 94.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.55 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.646 HD22 HG12 ' C' ' 127' ' ' ILE . 2.4 mm? -64.56 -46.43 82.83 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.583 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.6 m -57.62 -20.9 36.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' C' ' 130' ' ' ARG . 23.0 ttp85 -147.19 47.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.462 0.649 . . . . 0.0 111.069 -174.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.706 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 4.9 ttt180 -113.72 115.48 46.35 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.86 -0.525 . . . . 0.0 111.169 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo . . . . . 0 C--N 1.346 0.422 0 C-N-CA 123.944 3.096 . . . . 0.0 114.754 -171.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.441 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 66.5 t80 . . . . . 0 C--O 1.22 -0.451 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -60.99 -41.08 95.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -51.42 -57.7 8.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.956 175.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 34.7 pt -71.47 -37.4 64.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.832 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.586 HD12 ' HE2' ' A' ' 650' ' ' TYR . 42.3 tp -53.52 -48.68 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.43 0.292 . . . . 0.0 111.585 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.33 -53.21 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.891 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.63 -48.0 68.02 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.384 0.612 . . . . 0.0 112.01 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.745 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 15.4 tp -60.98 -39.58 90.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.805 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 92.3 p -80.53 -1.99 44.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.738 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.234 0.265 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -178.866 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 47.0 t60 . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 25.7 t -152.25 82.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.626 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 9.9 p -99.87 152.62 19.94 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.152 172.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.28 -36.6 84.61 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.009 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -55.88 -45.95 78.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.462 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 49.5 tp -55.96 -49.63 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.596 176.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 604' ' ' VAL . 76.5 mtp180 -65.73 -46.49 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.626 -178.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 31.2 t -55.87 -39.81 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' HIS . . . . . 0.444 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 14.1 m-70 -65.69 -39.91 91.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.448 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.454 HD23 ' HD2' ' A' ' 606' ' ' LYS . 20.5 mt -65.95 -42.91 89.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.528 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.6 t -62.41 -40.57 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-O 121.122 0.487 . . . . 0.0 109.862 174.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -58.97 -40.81 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' LYS . . . . . 0.719 ' HD3' HD11 ' C' ' 141' ' ' LEU . 68.8 mttm -64.34 -37.55 87.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.194 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -41.98 95.29 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -46.95 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.838 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -55.98 -38.27 70.2 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.556 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.11 78.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.619 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' ILE . . . . . 0.416 ' O ' HG21 ' B' ' 853' ' ' VAL . 41.4 mt -83.27 -37.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.625 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -152.19 117.98 3.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.966 -171.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.74 -43.62 7.0 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.165 2.576 . . . . 0.0 115.661 -172.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 6.1 t -170.7 117.14 0.47 Allowed Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 118.827 0.74 . . . . 0.0 112.645 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -88.74 158.14 6.21 Favored 'Trans proline' 0 N--CA 1.478 0.575 0 C-N-CA 124.211 3.274 . . . . 0.0 114.65 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.79 165.93 22.81 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.596 168.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.72 -35.21 57.21 Favored 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 122.475 2.117 . . . . 0.0 114.331 -175.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.7 -14.19 58.34 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.996 -0.44 . . . . 0.0 111.867 -171.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.88 -30.23 63.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.05 0.928 . . . . 0.0 110.395 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.95 -16.33 57.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.974 -1.466 . . . . 0.0 112.431 -172.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.1 OUTLIER -90.11 -9.08 49.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.072 0.463 . . . . 0.0 111.412 -173.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 28.0 t70 -76.23 136.78 39.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.955 -175.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.61 -37.84 85.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.141 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' ARG . . . . . 0.48 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 5.6 tpp180 -56.87 -32.81 66.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' MET . . . . . 0.632 ' HA ' ' CZ ' ' B' ' 852' ' ' PHE . 2.0 tmt? -49.15 -36.57 19.67 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.641 1.176 . . . . 0.0 112.68 -172.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.17 -38.12 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.438 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.12 -40.77 70.89 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -174.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.15 -48.74 72.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.828 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.44 -39.16 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.48 94.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 109.392 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' TYR . . . . . 0.427 ' O ' HG23 ' A' ' 635' ' ' VAL . 51.9 t80 -63.79 -43.54 96.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.626 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.31 94.22 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.261 -174.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -49.64 69.73 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.087 0.47 . . . . 0.0 110.384 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -55.4 -47.09 76.43 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.197 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 639' ' ' MET . 67.8 t -56.85 -48.29 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 174.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -55.87 -40.81 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.53 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -59.42 -42.11 97.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.001 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -38.22 89.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.614 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.7 mmt -63.83 -48.89 74.99 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.349 -175.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -58.63 -39.34 80.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.2 -178.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -66.0 -40.88 91.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.139 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -97.61 -21.75 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.09 -57.49 11.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.88 -22.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.387 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 23.4 m -147.69 152.61 38.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -64.96 -41.97 94.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.604 0.24 . . . . 0.0 111.531 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.88 -46.29 90.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.14 -37.67 88.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.468 . . . . 0.0 110.117 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.45 -47.9 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.664 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' TYR . . . . . 0.882 ' OH ' ' HA ' ' C' ' 138' ' ' LEU . 89.4 t80 -64.29 -41.13 97.02 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' HIS . . . . . 0.441 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 45.0 m170 -57.3 -49.46 76.03 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.821 0.344 . . . . 0.0 111.221 -177.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.04 -48.28 79.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.027 -170.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 639' ' ' MET . 79.2 mt -66.38 -41.44 89.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.647 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.93 88.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.719 0.295 . . . . 0.0 110.985 -178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 651' ' ' HIS . 9.9 mm-40 -64.21 -39.98 95.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.37 -50.32 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.8 pt -65.18 -37.54 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.452 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -65.2 -48.91 71.73 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.468 -176.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -55.83 -50.01 71.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' ILE . . . . . 1.057 HG23 HG23 ' B' ' 844' ' ' ILE . 10.5 mt -67.96 -49.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.18 -174.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -54.99 -46.44 75.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.267 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -64.41 -40.09 95.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.356 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' GLU . . . . . 0.558 ' OE2' HG22 ' B' ' 844' ' ' ILE . 35.6 tt0 -65.04 -42.03 94.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.931 0.396 . . . . 0.0 110.343 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 96.8 mt -62.13 -39.07 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.7 tp10 -60.11 -49.24 78.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.295 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -62.07 -39.42 92.34 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.17 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -58.78 -40.54 84.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.868 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' ARG . . . . . 0.464 ' HD3' ' O ' ' A' ' 668' ' ' ARG . 2.1 tmt_? -75.4 -31.87 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 67.9 mtp180 . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 844' ' ' ILE . . . . . 1.057 HG23 HG23 ' A' ' 660' ' ' ILE . 14.5 pt . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 845' ' ' LEU . . . . . 0.577 ' HB3' ' HD2' ' B' ' 846' ' ' PRO . 3.8 mp -155.93 -172.26 0.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 846' ' ' PRO . . . . . 0.577 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 26.7 Cg_exo -67.53 -155.42 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 121.74 1.626 . . . . 0.0 111.634 156.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 7.4 t -67.58 -43.16 81.23 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -169.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.3 -55.31 32.89 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -156.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.96 -38.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.159 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -44.9 71.89 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.986 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -55.91 -39.99 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.182 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 852' ' ' PHE . . . . . 0.632 ' CZ ' ' HA ' ' A' ' 625' ' ' MET . 14.8 t80 -65.23 -52.85 51.96 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.181 -0.207 . . . . 0.0 111.475 -176.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 853' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 611' ' ' ILE . 9.5 p -67.3 -39.29 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.373 -177.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.79 -37.17 85.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.221 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.59 -30.89 70.97 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 14.1 m120 . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 121.059 0.457 . . . . 0.0 110.302 179.748 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 125' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' C' ' 125' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.093 0.473 . . . . 0.0 110.153 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.78 -39.41 74.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.594 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 127' ' ' ILE . . . . . 0.629 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 5.5 pt -60.57 -40.17 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.811 -174.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.82 -41.55 82.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.175 0.512 . . . . 0.0 110.447 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 47.1 m -56.86 -27.05 59.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.251 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 130' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' C' ' 132' ' ' PRO . 0.2 OUTLIER -136.72 45.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.436 0.636 . . . . 0.0 109.616 176.055 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 131' ' ' ARG . . . . . 0.629 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.3 OUTLIER -105.51 101.61 32.91 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.82 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' C' ' 130' ' ' ARG . 53.6 Cg_exo . . . . . 0 N--CA 1.473 0.302 0 C-N-CA 123.571 2.848 . . . . 0.0 114.057 -174.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 134' ' ' TYR . . . . . 0.627 ' O ' ' HG ' ' C' ' 138' ' ' LEU . 66.4 t80 . . . . . 0 C--O 1.222 -0.365 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 135' ' ' ARG . . . . . 0.536 ' HA ' HD12 ' C' ' 138' ' ' LEU . 29.1 tpt180 -60.33 -42.14 95.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.45 174.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.51 -47.25 73.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.82 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 43.3 pt -78.07 -29.49 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.985 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 138' ' ' LEU . . . . . 0.882 ' HA ' ' OH ' ' A' ' 650' ' ' TYR . 87.0 mt -54.74 -50.43 68.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.268 0.556 . . . . 0.0 110.289 173.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.77 -51.57 64.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.564 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.39 -50.65 58.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 141' ' ' LEU . . . . . 0.719 HD11 ' HD3' ' A' ' 606' ' ' LYS . 12.8 tp -65.68 -46.78 77.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.209 -167.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 76.7 p -75.87 -25.74 56.43 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.772 0.32 . . . . 0.0 111.258 -173.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.127 0.489 . . . . 0.0 110.569 179.734 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.519 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.28 108.19 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -114.39 -78.46 0.58 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -147.79 60.76 1.13 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.502 0.668 . . . . 0.0 109.865 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -99.12 3.59 58.43 Favored Glycine 0 N--CA 1.444 -0.81 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.96 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -52.13 -58.14 7.48 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.157 0.503 . . . . 0.0 110.469 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -79.73 3.04 20.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.083 -178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -87.68 -32.5 19.18 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.698 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -89.41 -5.65 57.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 110.356 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 64.0 t -104.65 118.87 52.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.8 p -95.37 160.85 14.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.798 0.332 . . . . 0.0 111.443 -175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.84 88.88 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 172.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . 0.613 ' OD2' ' HA2' ' C' ' 147' ' ' GLY . 13.7 t70 -55.47 -48.6 74.27 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.974 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' C' ' 145' ' ' ALA . 60.2 tp -55.42 -47.78 75.43 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.468 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 604' ' ' VAL . 78.0 mtp180 -64.38 -40.03 95.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.755 -179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 23.4 m -56.54 -40.75 75.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.417 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.559 ' CG ' ' HB2' ' C' ' 146' ' ' PRO . 75.4 m-70 -64.53 -38.56 91.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.078 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 24.5 mt -65.09 -46.92 79.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.525 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -63.74 -43.55 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -58.89 -47.59 84.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.046 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.669 ' NZ ' HD21 ' C' ' 141' ' ' LEU . 12.9 pttp -64.37 -34.85 79.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.332 177.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.469 HD11 HD22 ' A' ' 653' ' ' LEU . 0.2 OUTLIER -58.22 -42.83 87.13 Favored 'General case' 0 N--CA 1.461 0.11 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 177.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.66 -47.65 87.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -55.26 -37.36 67.15 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.21 -38.64 74.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.732 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.429 ' O ' HG21 ' B' ' 853' ' ' VAL . 37.5 mt -91.18 -43.15 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.097 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.15 94.06 37.36 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -64.15 -41.49 21.9 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.582 2.188 . . . . 0.0 113.115 -175.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.4 t -147.41 94.93 4.4 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 121.554 0.693 . . . . 0.0 111.449 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.402 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 1.6 Cg_endo -84.72 142.54 9.17 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.997 2.464 . . . . 0.0 111.122 173.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.14 161.5 67.86 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 119.28 -0.391 . . . . 0.0 110.111 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 620' ' ' LEU . 71.3 Cg_exo -48.11 -34.77 24.45 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.646 2.23 . . . . 0.0 113.958 -175.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -81.0 -26.95 36.08 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 -177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.362 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.6 mt -59.77 -38.41 81.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.61 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.18 13.36 17.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.038 0.447 . . . . 0.0 111.213 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -95.66 149.84 21.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.392 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -57.02 -37.83 72.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.492 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.63 ' HD2' ' CZ ' ' B' ' 852' ' ' PHE . 14.3 ptp180 -59.98 -38.34 82.29 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 -177.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.561 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.6 tpt -65.52 -44.07 88.07 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.33 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.35 -40.76 95.46 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -63.75 -39.16 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.935 176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.0 tp -62.08 -46.55 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.197 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 625' ' ' MET . 3.9 t -61.82 -36.88 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.259 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.29 89.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.959 0.409 . . . . 0.0 110.026 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.84 -46.58 88.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.934 174.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.06 -40.29 95.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.053 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -64.55 -48.98 73.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -65.13 -46.68 79.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.619 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.575 ' O ' ' HG2' ' A' ' 639' ' ' MET . 70.9 t -59.33 -40.91 82.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.454 178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.8 -39.98 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.886 175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.36 -48.66 71.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.194 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -61.59 -39.0 89.62 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 110.788 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.575 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.0 mmt -63.0 -50.43 70.75 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.944 -178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -63.63 -40.94 98.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.948 0.404 . . . . 0.0 110.469 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.1 -40.34 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.808 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 12.4 m -94.51 -22.46 18.23 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -172.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.69 -63.27 1.19 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 643' ' ' ALA . 9.8 t30 75.24 -21.47 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.803 0.689 . . . . 0.0 111.495 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 1.7 m -144.53 150.54 37.73 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -65.18 -43.54 91.32 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 111.353 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.59 -45.14 89.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 0.0 110.837 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.48 -37.1 86.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.976 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.5 -50.64 71.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.684 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.7 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 76.1 t80 -66.33 -44.35 83.57 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -57.71 -42.99 84.89 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.228 -176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.95 -44.4 89.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.224 0.535 . . . . 0.0 110.027 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.521 HD21 ' HG3' ' A' ' 639' ' ' MET . 77.8 mt -66.68 -40.79 88.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.861 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.28 -45.35 93.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.865 0.364 . . . . 0.0 111.13 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.524 ' OE1' HD21 ' C' ' 128' ' ' LEU . 31.0 tt0 -65.45 -39.92 92.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.212 0.529 . . . . 0.0 110.498 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.455 ' O ' ' HD2' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -64.57 -42.63 95.51 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.894 -176.035 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.4 pt -64.6 -38.58 83.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.655 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 55.9 t80 -64.84 -40.21 94.81 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 110.392 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.351 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.635 HG12 HD11 ' B' ' 845' ' ' LEU . 88.9 mt -65.15 -46.22 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.438 0.637 . . . . 0.0 110.206 178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -52.38 -43.48 64.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.405 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.655 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 28.8 mtpp -63.72 -42.28 97.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.103 0.478 . . . . 0.0 110.556 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.645 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 53.4 mt -62.56 -41.54 98.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.317 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.17 -44.6 83.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.795 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -38.33 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.721 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.569 ' HB3' ' HG ' ' B' ' 854' ' ' LEU . 38.9 mmtm -64.43 -38.14 89.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.525 177.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -66.95 -23.32 65.95 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.702 -0.227 . . . . 0.0 110.906 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -51.51 -43.02 62.14 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.578 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 33.2 t -83.3 -57.8 3.11 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.258 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.525 ' HD2' ' HB3' ' B' ' 854' ' ' LEU . 67.5 mtt180 -64.94 73.49 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 175.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.143 175.465 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 N--CA 1.47 0.554 0 CA-C-O 121.353 0.597 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -124.48 39.82 3.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.105 0.479 . . . . 0.0 110.324 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 80.47 76.34 1.02 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.998 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -93.31 12.22 25.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.887 0.375 . . . . 0.0 111.18 -177.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 1.4 mt -123.82 148.86 27.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.635 HD11 HG12 ' A' ' 660' ' ' ILE . 3.3 mp -92.06 154.85 43.38 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 120.584 0.231 . . . . 0.0 110.787 -175.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.17 155.2 66.48 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 122.397 2.065 . . . . 0.0 110.912 169.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.1 m -54.81 -42.31 71.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -55.51 -40.94 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -172.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . 0.427 HG12 ' H ' ' B' ' 849' ' ' ILE . 3.6 mm -63.93 -45.36 97.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 -178.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.438 ' SD ' HD13 ' B' ' 845' ' ' LEU . 13.6 mmt -65.84 -40.32 91.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . 0.421 ' HA ' HH22 ' A' ' 671' ' ' ARG . 2.2 m-20 -55.5 -47.84 75.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.737 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.63 ' CZ ' ' HD2' ' A' ' 624' ' ' ARG . 6.2 t80 -65.74 -50.24 65.53 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.666 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 611' ' ' ILE . 4.9 p -62.09 -39.92 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.238 -0.585 . . . . 0.0 111.414 -168.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 667' ' ' LYS . 3.6 mm? -64.99 -36.0 82.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.341 175.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -62.78 -18.73 63.14 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 110.331 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -98.08 134.15 41.56 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 25.5 m -147.31 97.17 4.11 Favored Pre-proline 0 C--N 1.32 -0.687 0 O-C-N 122.282 -0.261 . . . . 0.0 110.483 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 123.066 2.511 . . . . 0.0 112.173 179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 CA--C 1.52 -0.206 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.9 m -72.07 -30.34 65.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.421 176.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.25 -56.6 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.192 0.52 . . . . 0.0 109.902 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 76.3 p -87.38 39.52 0.87 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.783 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 16.9 t70 -60.04 -47.58 85.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.171 -178.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 43.2 t -58.46 -49.59 76.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.552 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -62.02 -48.24 81.16 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 49.9 pttt -60.9 -43.58 98.32 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.385 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.711 ' O ' HG12 ' C' ' 127' ' ' ILE . 23.4 ttm180 -57.25 -46.73 82.75 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.251 175.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 63.0 ttp180 -55.75 -41.52 74.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.646 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -57.15 -41.12 78.55 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.732 176.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.711 HG12 ' O ' ' C' ' 124' ' ' ARG . 3.1 pt -63.42 -40.86 90.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.736 -175.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.524 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.2 mm? -56.79 -38.9 73.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.013 0.435 . . . . 0.0 110.716 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . 0.425 ' HA ' HH21 ' C' ' 135' ' ' ARG . 8.2 t -58.85 -17.31 22.66 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -133.96 45.56 2.62 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.761 0.791 . . . . 0.0 109.933 176.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.675 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 1.8 mmp_? -111.2 103.96 55.57 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.409 175.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.407 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 51.7 Cg_exo -55.54 -52.28 7.98 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.46 2.774 . . . . 0.0 113.21 -175.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.458 ' CG ' HD12 ' C' ' 128' ' ' LEU . 80.2 t80 -59.33 -47.62 84.73 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.378 178.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.425 HH21 ' HA ' ' C' ' 129' ' ' SER . 17.6 mmt85 -62.55 -41.6 99.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.112 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 33.7 mtmm -59.87 -55.0 39.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.245 177.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 33.8 pt -67.9 -33.59 62.28 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.075 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.516 HD12 ' HE2' ' A' ' 650' ' ' TYR . 9.1 tp -62.39 -50.13 72.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.67 0.272 . . . . 0.0 110.394 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -66.74 -50.67 62.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.816 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -64.64 -51.23 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.7 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 48.0 tp -64.96 -42.11 94.89 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.898 -174.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 81.1 p -76.06 -9.55 58.71 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 122.307 -0.246 . . . . 0.0 111.492 -177.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 t -67.01 -12.15 59.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 -176.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -162.53 67.38 0.23 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.764 0.316 . . . . 0.0 111.216 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.516 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -60.26 116.91 19.66 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.163 173.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . 0.559 ' HB2' ' CG ' ' A' ' 602' ' ' HIS . 12.4 Cg_exo -65.25 140.2 63.47 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.217 1.945 . . . . 0.0 111.002 -178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.613 ' HA2' ' OD2' ' A' ' 598' ' ' ASP . . . 171.62 83.24 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.84 -1.171 . . . . 0.0 113.708 -173.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 9.5 t -148.41 113.65 3.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 122.721 2.281 . . . . 0.0 111.732 177.521 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 112.211 -0.355 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.51 126.37 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.73 135.04 17.01 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -160.32 87.72 0.78 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -150.14 65.2 0.38 Allowed Glycine 0 N--CA 1.436 -1.335 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.44 ' CD1' ' N ' ' A' ' 591' ' ' TRP . 2.9 m0 -77.17 -25.92 52.42 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 640' ' ' TYR . 26.1 p80 -64.51 -10.31 24.77 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 114.79 -1.096 . . . . 0.0 111.844 173.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -61.32 -12.6 14.41 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.74 0.305 . . . . 0.0 111.726 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -81.93 -11.94 58.65 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 41.7 t -95.6 133.79 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 51.0 p -100.23 169.26 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 111.458 -173.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.49 94.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . 0.555 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 18.5 t70 -60.13 -50.29 74.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 41.9 tp -57.38 -44.74 84.7 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.647 ' O ' HG23 ' A' ' 604' ' ' VAL . 0.1 OUTLIER -57.16 -44.74 83.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.228 178.269 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 29.0 m -61.65 -41.97 98.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.279 -176.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.555 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 43.1 m-70 -64.9 -38.83 92.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.152 0.501 . . . . 0.0 110.314 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.459 HD13 HD11 ' A' ' 653' ' ' LEU . 24.6 mt -66.19 -43.14 87.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.556 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 600' ' ' ARG . 4.6 t -55.67 -39.84 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 120.875 0.369 . . . . 0.0 110.563 174.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -56.98 -39.22 74.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.242 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -62.37 -38.67 90.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.96 -46.61 82.03 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.54 -47.55 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.463 173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -54.71 -39.89 68.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 121.21 0.529 . . . . 0.0 110.688 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -59.47 -39.25 83.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.09 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.464 HD11 HD13 ' A' ' 660' ' ' ILE . 43.5 mt -94.42 -41.57 12.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.146 -174.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.95 85.81 45.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.7 -38.26 41.31 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 122.732 2.288 . . . . 0.0 113.094 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.3 t -143.26 87.25 8.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.908 0.385 . . . . 0.0 111.592 -177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.06 145.77 19.7 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.395 2.064 . . . . 0.0 111.665 174.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -69.5 156.15 92.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.746 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.466 ' HA ' HD12 ' A' ' 620' ' ' LEU . 9.2 Cg_endo -50.59 -44.46 40.07 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.65 2.233 . . . . 0.0 111.914 178.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.64 -21.43 55.49 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.075 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.87 -38.67 64.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.17 0.51 . . . . 0.0 110.674 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.5 mt -59.49 -33.52 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 -177.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -96.31 14.3 24.72 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.84 0.352 . . . . 0.0 111.297 -177.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 10.3 t70 -96.34 143.17 27.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.515 ' HD3' ' OE1' ' A' ' 626' ' ' GLU . 31.4 mmt180 -56.69 -36.19 69.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.568 -179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.542 HH21 ' HB2' ' B' ' 852' ' ' PHE . 23.8 mmm180 -60.81 -46.04 92.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 110.505 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 16.4 tpt -65.95 -41.69 90.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.984 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.515 ' OE1' ' HD3' ' A' ' 623' ' ' ARG . 52.3 mt-10 -59.58 -40.57 87.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.122 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -59.0 -38.82 80.09 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.73 -45.99 90.5 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.31 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.4 -38.77 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.862 0.363 . . . . 0.0 110.229 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.79 92.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.456 0.646 . . . . 0.0 110.0 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -63.99 -40.6 96.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.032 -0.986 . . . . 0.0 109.797 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.28 96.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.188 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -59.47 -50.1 75.25 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.525 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 634' ' ' LYS . 0.6 OUTLIER -66.03 -42.07 90.09 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.32 -177.546 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.9 t -60.62 -44.91 97.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 111.147 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -62.1 -40.19 95.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.009 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -58.62 -39.68 93.67 Favored Glycine 0 CA--C 1.507 -0.426 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.437 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.7 -40.03 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.153 0.501 . . . . 0.0 110.194 177.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.481 ' SD ' HD23 ' A' ' 653' ' ' LEU . 34.8 mtt -66.27 -49.74 66.11 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.248 -179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 592' ' ' HIS . 33.1 t80 -60.71 -40.86 93.85 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.162 -172.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.81 -39.36 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.663 -177.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.4 m -94.12 -23.53 17.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.662 -174.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -57.59 -68.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.86 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 591' ' ' TRP . 67.2 t30 57.12 16.94 3.2 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.959 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 14.8 m -154.33 149.5 26.97 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -64.99 -49.18 71.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.917 0.389 . . . . 0.0 111.004 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.24 -43.07 92.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.761 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.32 -39.15 89.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.263 178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.04 -47.99 83.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.874 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.54 ' HE2' ' CD1' ' C' ' 138' ' ' LEU . 94.8 t80 -64.44 -40.57 95.99 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -64.41 -39.64 94.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.28 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 47.5 mt -64.36 -38.28 90.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.629 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.49 ' O ' HG12 ' A' ' 657' ' ' ILE . 35.0 mt -55.36 -43.82 75.41 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.312 174.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.427 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -64.1 -39.41 93.99 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.138 -176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.536 ' OE1' HD21 ' C' ' 128' ' ' LEU . 14.6 tp10 -62.77 -49.94 73.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.463 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.76 -46.47 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.421 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.4 pt -63.54 -37.64 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.888 -176.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -62.09 -42.2 98.97 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.655 0.264 . . . . 0.0 110.445 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.453 ' HD2' HG12 ' B' ' 844' ' ' ILE . 19.8 ttmm -55.95 -50.6 70.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.966 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.517 ' CG1' HD11 ' B' ' 844' ' ' ILE . 35.5 mt -67.31 -51.76 49.54 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.883 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.15 -45.11 79.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.524 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.437 ' HA ' ' HE3' ' A' ' 662' ' ' LYS . 0.0 OUTLIER -62.79 -44.71 95.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.533 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -65.13 -39.87 93.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.21 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.41 ' CD2' ' HG3' ' B' ' 850' ' ' MET . 78.2 mt -61.58 -40.25 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.714 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -64.23 -49.22 72.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.468 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -38.91 92.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.683 -179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -60.67 -44.69 96.18 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.401 0.28 . . . . 0.0 111.201 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 671' ' ' ARG . 34.8 ttm180 -76.98 -27.28 54.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.175 0.512 . . . . 0.0 110.094 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -64.53 -39.76 94.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.414 176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 36.8 t -94.3 3.22 55.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.924 -177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 668' ' ' ARG . 3.0 tmt_? -35.8 102.67 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.541 0 O-C-N 124.331 1.019 . . . . 0.0 112.178 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 34.3 tp . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.59 177.794 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . 0.427 ' HB3' HD21 ' B' ' 843' ' ' ASN . 18.5 m-20 . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.835 0.35 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -73.79 93.49 2.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.967 0.413 . . . . 0.0 109.94 175.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 95.03 82.04 1.57 Allowed Glycine 0 N--CA 1.441 -1.007 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.556 -177.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.427 HD21 ' HB3' ' B' ' 840' ' ' ASP . 0.9 OUTLIER -69.54 -29.44 67.02 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.548 -0.326 . . . . 0.0 110.935 179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . 0.517 HD11 ' CG1' ' A' ' 660' ' ' ILE . 1.2 tp -134.74 157.6 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 -172.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.575 ' HB2' ' SD ' ' B' ' 850' ' ' MET . 1.1 mp -75.58 137.54 70.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.343 -165.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.56 -178.17 4.09 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.97 2.446 . . . . 0.0 112.735 -178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.9 m -55.5 -40.67 72.04 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -53.55 -49.52 67.48 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 30.8 mm -66.19 -44.2 91.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.111 0.482 . . . . 0.0 110.912 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.575 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -62.27 -41.98 98.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.922 179.715 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -58.93 -37.85 77.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.918 177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.542 ' HB2' HH21 ' A' ' 624' ' ' ARG . 47.7 t80 -61.7 -50.59 71.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.188 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.7 p -65.72 -39.02 83.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-O 120.829 0.347 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.42 -37.27 85.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.042 176.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -58.18 -43.79 87.68 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.367 -172.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -100.39 135.31 42.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.17 0.509 . . . . 0.0 110.101 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 19.1 m -131.17 124.38 20.38 Favored Pre-proline 0 C--N 1.318 -0.782 0 O-C-N 122.197 -0.315 . . . . 0.0 110.542 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo . . . . . 0 C--O 1.247 0.974 0 C-N-CA 122.585 2.19 . . . . 0.0 112.193 179.373 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 20.9 t -100.59 -34.66 9.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.49 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 62.9 t -65.4 -57.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.686 0.279 . . . . 0.0 110.263 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 63.2 p -95.91 46.13 1.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.405 0.622 . . . . 0.0 110.008 174.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.13 -47.05 84.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.946 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 34.3 t -56.42 -49.27 75.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.297 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -62.04 -47.23 85.64 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.597 0.237 . . . . 0.0 111.041 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -62.53 -48.68 78.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.857 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.67 ' O ' HG12 ' C' ' 127' ' ' ILE . 24.0 ttm180 -56.27 -47.75 77.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -57.24 -42.52 81.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.623 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.14 -39.67 72.64 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.171 177.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.67 HG12 ' O ' ' C' ' 124' ' ' ARG . 4.0 pt -63.22 -41.7 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.419 -173.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.536 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.9 mm? -59.18 -41.13 87.73 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 88.0 p -56.57 -35.08 67.77 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.746 -172.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -144.75 68.14 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.388 0.613 . . . . 0.0 109.9 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.555 ' CZ ' ' HB2' ' C' ' 134' ' ' TYR . 4.8 ttp180 -113.6 120.47 39.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -55.59 -36.52 94.74 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.114 2.542 . . . . 0.0 113.173 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . 0.528 ' P ' ' HE ' ' C' ' 131' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' C' ' 131' ' ' ARG . 82.3 t80 -61.26 -41.82 97.57 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.435 ' NH2' HD23 ' C' ' 138' ' ' LEU . 6.2 tpm_? -56.41 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.02 -56.03 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.916 -176.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.2 pt -66.35 -33.89 66.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.133 -175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.54 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 10.4 tp -60.55 -41.0 93.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.863 0.84 . . . . 0.0 110.432 176.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -64.3 -52.82 56.64 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.117 175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -67.67 -49.52 62.37 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.54 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 21.4 tp -60.81 -36.39 78.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.397 -172.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 25.6 p -72.28 -0.02 11.13 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 39.7 t -49.49 -74.19 0.03 OUTLIER 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -160.35 36.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 8.06 80.07 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.035 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -171.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.92 157.71 57.79 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.747 2.298 . . . . 0.0 111.816 171.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.551 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . 163.21 -155.74 27.22 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 109.051 -1.62 . . . . 0.0 109.051 -175.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.551 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 0.9 OUTLIER 146.06 -52.43 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.716 0 O-C-N 125.435 1.315 . . . . 0.0 109.271 176.104 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo . . . . . 0 C--O 1.248 0.989 0 C-N-CA 122.04 1.826 . . . . 0.0 110.636 170.254 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.522 0 N-CA-C 112.261 -0.336 . . . . 0.0 112.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 6.5 m -65.51 102.47 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.489 0.661 . . . . 0.0 111.151 176.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -178.99 -69.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.251 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -163.49 62.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.527 0.68 . . . . 0.0 109.583 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -91.46 9.98 75.9 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.931 -176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.414 ' HB3' ' O ' ' A' ' 644' ' ' ASN . 6.4 m95 -54.3 -54.69 36.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.846 0.355 . . . . 0.0 111.049 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -66.72 -9.58 37.89 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -84.99 -25.32 27.8 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.861 -172.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -83.61 -10.41 58.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.752 0.311 . . . . 0.0 110.591 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.446 HG13 HD23 ' A' ' 599' ' ' LEU . 84.9 t -116.24 111.93 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.516 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 32.1 p -96.26 166.46 11.72 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.959 -172.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.477 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -57.3 -40.02 76.97 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.829 0.347 . . . . 0.0 110.444 179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.35 -46.85 88.48 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.446 HD23 HG13 ' A' ' 595' ' ' VAL . 28.6 tp -57.73 -43.61 85.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.521 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 596' ' ' THR . 45.8 mtt180 -65.48 -49.11 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.338 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 27.7 m -57.51 -38.69 75.04 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.144 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.456 ' CE1' HG23 ' C' ' 148' ' ' VAL . 9.0 m170 -61.84 -43.54 98.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.189 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.485 HD23 ' HD3' ' A' ' 606' ' ' LYS . 16.8 mt -65.78 -40.54 92.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.991 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.5 -41.72 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-O 120.886 0.374 . . . . 0.0 110.258 176.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -62.66 -40.88 98.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.095 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.485 ' HD3' HD23 ' A' ' 603' ' ' LEU . 28.1 mtpp -63.84 -38.68 91.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.996 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.0 -42.76 80.86 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.67 -49.23 83.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.225 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -56.92 -36.89 70.73 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.128 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.26 -39.02 74.78 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.885 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 21.9 mt -92.44 -38.36 10.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.65 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.92 86.58 42.83 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -59.21 -37.74 89.84 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.79 2.327 . . . . 0.0 113.872 -171.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.6 t -161.81 94.32 1.32 Allowed Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 121.293 0.568 . . . . 0.0 111.852 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -84.14 164.67 13.19 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.892 2.394 . . . . 0.0 112.31 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.2 155.15 54.87 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.615 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.429 ' HA ' HD12 ' A' ' 620' ' ' LEU . 5.3 Cg_endo -47.39 -43.81 26.08 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.21 2.607 . . . . 0.0 113.491 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -65.17 -30.97 71.93 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.475 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.03 64.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 617' ' ' PRO . 1.9 mt -61.77 -31.5 71.7 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.653 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -91.66 6.11 47.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.928 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -97.67 151.56 19.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.213 0.53 . . . . 0.0 111.364 -172.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -39.63 94.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.611 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -64.18 -42.54 96.64 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.042 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -66.08 -39.77 90.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.186 0.517 . . . . 0.0 110.177 175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.68 -40.51 72.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.665 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -60.08 -36.34 77.16 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.715 0.293 . . . . 0.0 110.767 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.09 -43.23 99.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.251 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.2 t -64.72 -37.38 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.139 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.01 93.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.307 0.575 . . . . 0.0 109.601 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -61.35 -43.48 98.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.144 177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.24 96.93 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.06 0.457 . . . . 0.0 110.329 -178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.57 -46.84 84.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.181 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -64.04 -44.48 92.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.811 0.339 . . . . 0.0 110.989 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 639' ' ' MET . 69.0 t -59.16 -41.29 83.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.023 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -54.81 -39.02 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.12 92.67 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.877 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -65.73 -38.3 88.79 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.965 0.412 . . . . 0.0 110.89 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.6 ' HG3' HD21 ' A' ' 653' ' ' LEU . 22.9 mmt -64.34 -51.68 62.16 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.039 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.61 -38.46 87.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.846 -176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.73 -39.36 93.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.958 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.3 p -95.38 -27.96 15.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 644' ' ' ASN . . . -51.96 -67.85 0.22 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 591' ' ' TRP . 9.3 t30 71.92 -9.25 1.0 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.494 -0.775 . . . . 0.0 112.038 179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 26.6 m -153.45 154.33 34.2 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.632 -0.667 . . . . 0.0 109.643 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.5 -45.84 88.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.623 0.249 . . . . 0.0 110.948 -176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -64.14 -40.23 95.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.732 0.301 . . . . 0.0 111.058 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -64.3 -40.31 95.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.435 . . . . 0.0 110.798 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -59.94 -49.85 76.06 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.333 -177.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.673 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 56.4 t80 -64.9 -40.94 95.87 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.048 0.452 . . . . 0.0 110.557 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.411 ' O ' ' HG3' ' A' ' 655' ' ' GLU . 79.8 t60 -62.0 -42.85 99.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.761 -174.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 61.8 mt -64.31 -46.13 84.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.877 0.37 . . . . 0.0 110.735 -175.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.6 HD21 ' HG3' ' A' ' 639' ' ' MET . 75.6 mt -66.05 -39.68 90.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.578 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.94 74.03 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 121.181 0.515 . . . . 0.0 110.923 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 651' ' ' HIS . 38.5 mt-10 -65.69 -42.5 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.932 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.409 ' HE2' HG11 ' A' ' 635' ' ' VAL . 59.9 tttp -66.36 -46.83 75.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 38.5 pt -63.75 -37.29 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.637 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -63.85 -40.82 97.49 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.536 ' HD3' HG12 ' B' ' 844' ' ' ILE . 20.9 ttmm -56.09 -50.97 69.54 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.113 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . . . . . . . . . 44.2 mt -65.72 -49.58 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-O 121.292 0.567 . . . . 0.0 110.401 -177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -53.93 -48.95 69.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.054 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -64.53 -43.96 92.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.97 -48.2 79.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.952 -177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.67 -40.58 92.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.472 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.8 -48.69 68.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.727 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -38.52 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.885 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -55.89 -40.03 72.42 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -76.78 -33.07 58.07 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.191 0.519 . . . . 0.0 109.851 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -66.35 -52.65 44.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.453 -176.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.2 p -96.17 -6.47 38.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 111.446 -175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 31.8 ttp180 70.77 123.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.582 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.25 1.127 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.012 176.819 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--O 1.235 0.302 0 CA-C-O 121.051 0.453 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -92.63 53.67 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.502 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 93.36 105.44 1.74 Allowed Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.048 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -91.7 15.41 12.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.844 0.354 . . . . 0.0 110.461 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . 0.536 HG12 ' HD3' ' A' ' 659' ' ' LYS . 1.1 mt -98.8 152.32 4.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.74 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 4.0 mp -93.66 148.45 35.43 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.494 -175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.48 159.02 29.16 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.817 2.344 . . . . 0.0 112.239 176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 20.8 t -55.25 -47.11 75.91 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 123.208 0.317 . . . . 0.0 111.056 -173.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -54.82 -45.6 74.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.905 -173.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.9 mm -64.34 -46.03 94.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.379 0.609 . . . . 0.0 109.914 -178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.441 ' O ' HD23 ' B' ' 854' ' ' LEU . 6.3 mmt -65.82 -40.09 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.312 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.56 -38.01 83.14 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -57.2 -49.49 75.83 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.406 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.407 HG12 ' O ' ' B' ' 850' ' ' MET . 11.4 p -65.17 -39.0 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.834 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.441 HD23 ' O ' ' B' ' 850' ' ' MET . 3.3 mm? -55.83 -37.16 68.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.681 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' B' ' 855' ' ' LYS . 6.0 mmtp -98.44 19.31 14.69 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.24 128.19 44.24 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 25.2 m -148.79 115.29 3.77 Favored Pre-proline 0 C--N 1.319 -0.742 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.076 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.662 2.241 . . . . 0.0 111.269 174.551 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.1 m -80.4 -26.91 38.24 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.697 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.58 -52.62 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.095 0.474 . . . . 0.0 109.848 173.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 76.4 p -83.21 35.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.116 176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 24.1 t70 -61.36 -46.97 87.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.686 0.279 . . . . 0.0 110.527 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 7.7 t -59.68 -49.03 79.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.723 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -58.95 -47.84 83.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.5 177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 9.5 ptmm? -63.74 -42.97 97.77 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.235 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.628 ' O ' HG12 ' C' ' 127' ' ' ILE . 5.5 tmm_? -57.35 -42.13 81.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.351 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -62.36 -42.75 99.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.099 0.475 . . . . 0.0 110.792 177.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -55.13 -38.65 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.816 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.628 HG12 ' O ' ' C' ' 124' ' ' ARG . 4.5 pt -57.14 -38.79 62.88 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 C-N-CA 121.201 -0.2 . . . . 0.0 110.737 -175.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.48 HD22 HG12 ' C' ' 127' ' ' ILE . 2.3 mm? -62.2 -41.27 98.21 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.69 0.281 . . . . 0.0 110.786 -177.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 50.6 m -57.81 -23.89 54.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.819 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.08 55.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.239 0.543 . . . . 0.0 109.913 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.531 ' HB3' ' HB3' ' C' ' 134' ' ' TYR . 7.2 tpt180 -113.6 113.15 48.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.639 178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 35.3 Cg_exo -57.89 -59.3 0.57 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.583 2.856 . . . . 0.0 114.04 -174.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 19.4 t80 -59.34 -47.57 84.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 178.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -63.62 -41.78 98.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.756 0.312 . . . . 0.0 110.736 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -56.76 -44.05 81.37 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.298 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 37.4 pt -76.72 -36.37 26.69 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.588 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.568 HD12 ' HE2' ' A' ' 650' ' ' TYR . 12.0 tp -56.06 -48.62 75.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.605 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -65.18 -50.75 64.73 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.26 -44.74 82.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.401 0.619 . . . . 0.0 112.289 -178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.673 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 18.1 tp -62.25 -39.24 92.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.554 -172.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 4.9 p -71.55 -1.02 12.0 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' C' ' 144' ' ' ASP . 45.5 m -61.98 -28.4 69.53 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -171.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' C' ' 143' ' ' SER . 27.5 t70 171.01 78.77 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.949 0.795 . . . . 0.0 111.12 -171.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -33.81 93.42 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.67 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . 0.426 ' HD2' ' HD2' ' A' ' 606' ' ' LYS . 6.4 Cg_exo -72.9 129.67 14.63 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 123.826 3.017 . . . . 0.0 113.272 176.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.623 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -163.06 -117.16 0.41 Allowed Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.071 -1.061 . . . . 0.0 112.08 167.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.623 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 5.5 t 84.37 105.89 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.554 0 C-N-CA 123.583 0.753 . . . . 0.0 110.697 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.247 0.959 0 C-N-CA 122.795 2.33 . . . . 0.0 112.176 179.475 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.75 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.91 82.98 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-O 122.135 0.969 . . . . 0.0 109.732 172.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -79.56 118.59 21.55 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 114.844 -1.071 . . . . 0.0 109.703 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.681 ' NZ ' ' HA ' ' A' ' 641' ' ' GLU . 38.1 ttmt -154.1 80.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.225 -177.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -82.65 -4.93 89.89 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.228 -174.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 7.0 m95 -58.01 -18.65 25.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.689 0.281 . . . . 0.0 111.21 177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -67.94 -13.95 62.58 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.694 0.283 . . . . 0.0 111.31 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.03 -36.52 82.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.345 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -90.78 -17.18 27.08 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.897 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.7 t -94.0 122.18 45.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 38.0 p -105.56 170.4 7.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.46 -40.51 78.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.691 0.282 . . . . 0.0 110.27 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.82 -50.02 73.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.906 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' C' ' 147' ' ' GLY . 45.6 tp -62.99 -43.78 97.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.633 178.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 604' ' ' VAL . 58.2 ttt180 -64.47 -50.2 68.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.39 -176.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 57.3 m -59.12 -38.38 79.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.817 0.342 . . . . 0.0 111.245 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -62.97 -39.98 96.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.09 -46.33 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.583 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.9 t -62.14 -40.67 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-O 121.153 0.501 . . . . 0.0 110.139 178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -58.62 -40.6 83.8 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.422 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -60.82 -37.87 83.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.174 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 656' ' ' LYS . 0.4 OUTLIER -57.65 -46.13 84.61 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 177.271 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.4 t -61.43 -41.3 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.425 175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -54.01 -37.81 64.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.246 0.546 . . . . 0.0 110.633 -178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.76 -38.35 69.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.406 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.52 ' O ' HG21 ' B' ' 853' ' ' VAL . 49.4 mt -98.56 -44.3 12.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.979 -177.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.85 88.0 47.4 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -175.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.79 -33.53 64.79 Favored 'Trans proline' 0 N--CA 1.475 0.43 0 C-N-CA 122.891 2.394 . . . . 0.0 113.512 -176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.7 t -156.82 95.32 2.22 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.337 0.589 . . . . 0.0 111.483 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.95 155.92 20.2 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 123.075 2.517 . . . . 0.0 111.742 174.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.529 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.5 p-10 -92.54 163.25 27.06 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 1.0 OUTLIER -43.15 -41.47 9.6 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.368 2.712 . . . . 0.0 114.001 -178.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -72.81 -32.13 65.31 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 121.859 -0.526 . . . . 0.0 111.719 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.58 -42.91 64.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.034 0.445 . . . . 0.0 110.472 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.7 mt -57.24 -39.98 76.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.825 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 617' ' ' PRO . 13.7 pttm -94.01 15.51 16.76 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.914 0.388 . . . . 0.0 111.489 -178.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -96.67 143.63 27.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.923 0.392 . . . . 0.0 110.263 -176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -58.83 -37.41 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.621 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -61.07 -39.87 91.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.926 0.393 . . . . 0.0 110.407 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.2 tpt -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.936 177.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -59.5 -40.93 88.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.734 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -62.98 -38.61 91.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.969 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 26.3 tp -61.89 -49.64 75.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.413 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 625' ' ' MET . 2.9 t -60.09 -36.96 70.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.551 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.2 89.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -64.24 -40.56 96.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.645 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.84 94.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.335 0.588 . . . . 0.0 109.829 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 636' ' ' GLU . 12.6 tmtt? -62.27 -49.58 75.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.261 -177.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -64.19 -39.55 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.165 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.0 t -58.35 -40.32 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-O 120.772 0.32 . . . . 0.0 110.464 177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 633' ' ' LYS . 9.3 tt0 -54.5 -43.3 71.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.92 176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.28 -49.73 55.33 Favored Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.783 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -64.71 -38.95 92.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.05 0.452 . . . . 0.0 110.565 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 24.2 ttp -64.09 -47.42 80.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.761 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -58.29 -40.6 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.053 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.681 ' HA ' ' NZ ' ' A' ' 589' ' ' LYS . 30.9 mm-40 -68.22 -46.02 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.111 177.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.3 m -83.88 -30.21 26.58 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -169.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.15 -71.33 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 4.4 t30 54.62 19.46 2.46 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 36.9 m -159.78 158.34 30.98 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -66.2 -51.26 59.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.949 0.404 . . . . 0.0 111.302 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -65.61 -43.5 89.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.051 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -57.28 -38.41 73.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.038 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -60.11 -50.69 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.44 -176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.824 ' HE2' HD12 ' C' ' 138' ' ' LEU . 52.5 t80 -67.94 -40.75 83.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.096 0.474 . . . . 0.0 110.724 175.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -56.01 -41.86 75.56 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.484 -175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 51.2 mt -64.45 -37.71 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.124 -176.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.477 ' O ' HG12 ' A' ' 657' ' ' ILE . 72.9 mt -63.92 -41.66 97.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -58.76 -39.42 80.9 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.129 0.49 . . . . 0.0 110.484 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 659' ' ' LYS . 31.8 tt0 -62.32 -49.78 74.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.66 177.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.533 ' O ' HG13 ' A' ' 660' ' ' ILE . 2.7 tpmt? -65.7 -47.73 74.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.625 -175.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 653' ' ' LEU . 44.1 pt -64.32 -37.57 80.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.844 -175.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.18 -49.19 70.76 Favored 'General case' 0 C--N 1.338 0.084 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.463 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 655' ' ' GLU . 0.3 OUTLIER -64.29 -36.92 85.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.586 HG12 HD11 ' B' ' 844' ' ' ILE . 67.7 mt -62.41 -51.52 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.476 0.655 . . . . 0.0 109.308 177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.582 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 8.0 tt0 -57.01 -45.67 82.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.86 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -61.64 -41.01 96.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.643 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -62.79 -43.72 98.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.003 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 84.3 mt -58.29 -40.38 81.78 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.005 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 661' ' ' GLN . 49.3 mt-10 -63.83 -50.32 69.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.875 0.369 . . . . 0.0 110.635 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -40.03 94.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.03 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -63.06 -40.59 98.15 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.129 0.49 . . . . 0.0 110.649 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -72.57 -36.43 68.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.493 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -74.67 -26.27 59.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.128 -174.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 6.0 p -89.21 -0.07 57.16 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.69 0.255 . . . . 0.0 111.69 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -31.65 111.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 124.42 1.075 . . . . 0.0 112.928 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 672' ' ' LEU . 2.5 pt? . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.013 177.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.788 0.328 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -133.92 14.01 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.299 0.571 . . . . 0.0 109.804 177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 87.99 166.75 42.71 Favored Glycine 0 N--CA 1.442 -0.933 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.918 -176.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -84.23 52.47 2.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.174 0.511 . . . . 0.0 110.239 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 660' ' ' ILE . 5.1 tp -139.06 156.15 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.825 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . . . . . . . . . 1.7 mp -75.12 134.84 73.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.958 0.409 . . . . 0.0 111.051 -163.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.93 -174.85 2.41 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.956 2.437 . . . . 0.0 112.897 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.1 m -56.39 -39.95 73.82 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -53.1 -51.74 60.89 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 38.8 mm -67.96 -46.8 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.203 0.525 . . . . 0.0 111.342 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.42 ' O ' HD23 ' B' ' 854' ' ' LEU . 29.5 mmt -64.18 -41.3 97.16 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.594 -174.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -64.04 -38.04 89.61 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.15 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -58.1 -49.68 76.1 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.067 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 611' ' ' ILE . 8.0 p -65.61 -38.52 82.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.245 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.42 HD23 ' O ' ' B' ' 850' ' ' MET . 3.4 mm? -62.12 -37.83 86.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.745 0.307 . . . . 0.0 110.68 175.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -70.71 -38.1 73.59 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.136 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -92.42 127.12 37.79 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 34.8 m -144.33 127.43 8.66 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.355 -176.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 122.886 2.391 . . . . 0.0 111.624 175.28 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.223 -0.301 0 CA-C-O 120.583 0.23 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.4 m -61.38 -27.66 68.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.009 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 55.6 t -75.5 -65.96 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.923 0.392 . . . . 0.0 110.946 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 81.8 p -97.01 45.23 1.04 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.154 0.502 . . . . 0.0 110.628 -178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.12 -47.7 82.48 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.587 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 32.7 t -61.45 -52.19 65.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.235 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -48.94 79.59 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 176.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.557 ' O ' HG23 ' C' ' 127' ' ' ILE . 22.6 mtpp -63.13 -48.05 80.16 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -176.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' C' ' 124' ' ' ARG . 0.0 OUTLIER -53.5 -48.33 69.07 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -64.33 -43.88 93.26 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.229 0.538 . . . . 0.0 110.356 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -55.82 -44.58 78.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.75 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -62.95 -40.63 89.71 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.504 -175.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.55 HD12 ' CD1' ' C' ' 134' ' ' TYR . 2.0 mm? -65.21 -44.71 87.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.12 0.486 . . . . 0.0 110.053 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.8 m -58.05 -36.09 72.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.253 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 55.8 ttt180 -116.39 48.16 1.31 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.606 0.717 . . . . 0.0 109.878 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.584 ' HB3' ' CB ' ' C' ' 134' ' ' TYR . 8.3 tpt180 -113.95 106.01 53.84 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.659 178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 18.1 Cg_endo -58.88 -27.27 83.84 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.297 1.998 . . . . 0.0 112.166 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . 0.568 ' O1P' ' HG3' ' C' ' 131' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.584 ' CB ' ' HB3' ' C' ' 131' ' ' ARG . 57.8 t80 -60.05 -44.56 94.61 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.274 178.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -58.11 -42.13 85.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.224 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 63.3 mttp -63.48 -55.88 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.198 0.523 . . . . 0.0 111.078 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.1 pt -70.43 -21.36 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.593 -175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.824 HD12 ' HE2' ' A' ' 650' ' ' TYR . 15.0 tp -62.15 -41.91 98.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.522 0.677 . . . . 0.0 109.982 177.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -66.97 -48.91 67.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.187 169.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.5 -49.81 69.85 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -170.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.507 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 28.6 tp -60.54 -41.33 94.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -171.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.574 ' HB3' ' CE1' ' A' ' 650' ' ' TYR . 2.6 p -70.89 -35.24 72.23 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.881 -172.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 37.7 m 39.37 31.75 0.07 Allowed 'General case' 0 CA--C 1.536 0.421 0 O-C-N 123.55 0.531 . . . . 0.0 111.936 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 33.8 t70 64.04 68.68 0.56 Allowed 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -174.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.41 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -43.07 98.64 0.19 Allowed Pre-proline 0 N--CA 1.48 1.047 0 O-C-N 124.352 1.032 . . . . 0.0 112.757 -170.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.08 127.05 13.81 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.52 2.147 . . . . 0.0 112.362 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 599' ' ' LEU . . . 150.93 81.55 0.03 OUTLIER Glycine 0 C--O 1.228 -0.228 0 C-N-CA 120.311 -0.947 . . . . 0.0 113.563 167.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.447 ' HA ' ' HD3' ' C' ' 149' ' ' PRO . 11.6 t -159.83 130.76 3.76 Favored Pre-proline 0 N--CA 1.466 0.344 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -178.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' C' ' 148' ' ' VAL . 7.2 Cg_exo . . . . . 0 C--O 1.245 0.871 0 C-N-CA 122.483 2.122 . . . . 0.0 111.652 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.496 0 CA-C-O 120.068 -0.296 . . . . 0.0 113.505 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 3.1 m -142.49 87.13 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.124 0 CA-C-N 117.426 0.613 . . . . 0.0 110.857 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -135.62 85.17 2.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.845 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -151.45 60.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.462 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -106.91 7.8 38.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.754 . . . . 0.0 113.095 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -15.17 61.76 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 122.472 -0.428 . . . . 0.0 111.936 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -80.91 1.43 30.96 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.091 0.472 . . . . 0.0 110.731 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -87.77 -13.28 42.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.923 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -86.06 0.06 54.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.011 0.434 . . . . 0.0 110.12 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 55.8 t -97.21 120.54 46.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.709 175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.0 p -101.2 172.17 7.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.953 -175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.573 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -60.19 -38.41 83.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 174.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -57.14 -48.57 78.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.369 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.28 -40.65 82.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.436 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 604' ' ' VAL . 70.8 mtp180 -63.96 -49.2 73.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.512 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 16.2 m -55.64 -41.57 73.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.649 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' C' ' 146' ' ' PRO . 32.3 m80 -65.35 -40.36 93.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.889 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 16.9 mt -65.13 -49.89 68.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.479 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.3 t -65.16 -43.68 95.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.867 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -60.0 -48.7 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.284 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -63.1 -35.26 79.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.596 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.01 -44.5 82.86 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.97 -48.17 87.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.272 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -55.19 -35.92 65.36 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.955 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -54.69 -38.02 66.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.548 HD11 HD13 ' B' ' 845' ' ' LEU . 40.9 mt -94.34 -39.64 10.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.543 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -117.83 89.77 34.57 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -60.94 -39.69 58.98 Favored 'Trans proline' 0 N--CA 1.473 0.274 0 C-N-CA 122.541 2.161 . . . . 0.0 112.552 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -150.62 80.25 6.93 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.765 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.94 145.55 50.65 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.229 1.952 . . . . 0.0 111.346 177.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.425 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 2.3 p30 -83.19 155.35 66.94 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 620' ' ' LEU . 5.0 Cg_endo -46.2 -43.82 20.51 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.235 2.623 . . . . 0.0 113.309 -176.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . 0.591 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.64 -17.39 51.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.632 0.253 . . . . 0.0 111.66 -175.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.89 -36.65 67.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.575 0.702 . . . . 0.0 110.116 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.4 mt -67.36 -19.73 65.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.864 -176.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 2.6 pptp? -97.51 7.58 46.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.8 0.333 . . . . 0.0 111.149 -178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -97.11 144.94 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -64.55 -38.99 92.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.339 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 624' ' ' ARG . 0.4 OUTLIER -56.52 -49.96 73.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.099 0.476 . . . . 0.0 110.344 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.48 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.2 tmt? -66.87 -40.76 87.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.23 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.68 -39.37 70.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.757 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -55.68 -37.98 69.04 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.48 ' HB3' ' O ' ' A' ' 625' ' ' MET . 24.5 tp -59.71 -43.18 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.67 0.272 . . . . 0.0 110.385 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -64.14 -38.23 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.27 -42.91 92.75 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.141 0.496 . . . . 0.0 109.893 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -64.56 -40.78 96.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.903 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -60.04 -41.57 92.54 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 5.5 tmmm? -65.14 -41.21 94.99 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.355 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 2.8 mmmp? -63.86 -44.06 94.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.394 178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.442 HG13 ' HE2' ' A' ' 656' ' ' LYS . 34.2 t -55.78 -46.9 79.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.663 174.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.464 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 17.9 tt0 -55.88 -41.28 74.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.43 178.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -50.47 57.87 Favored Glycine 0 C--N 1.328 0.121 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.906 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.0 -37.9 89.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.196 0.522 . . . . 0.0 110.675 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.455 ' HE2' ' HB3' ' A' ' 639' ' ' MET . 39.3 ttp -62.37 -46.58 88.02 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.978 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.504 ' OH ' ' HG2' ' A' ' 600' ' ' ARG . 6.6 m-85 -56.39 -35.4 67.69 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -66.64 -43.6 84.22 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-O 121.308 0.575 . . . . 0.0 110.877 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -90.2 -51.13 5.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.3 -171.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -51.08 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.094 0.557 . . . . 0.0 111.942 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 69.09 -17.55 0.2 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.3 m -133.75 158.31 43.64 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.931 -0.48 . . . . 0.0 110.001 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -66.21 -49.28 67.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.15 -45.33 88.95 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.994 0.426 . . . . 0.0 110.184 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.33 -35.78 65.54 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.683 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -54.48 -52.16 62.77 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.462 0.574 . . . . 0.0 110.047 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.835 ' HE1' HD12 ' C' ' 138' ' ' LEU . 55.7 t80 -66.02 -44.32 85.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 -178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -58.14 -47.01 84.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.213 -175.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 43.3 mt -65.77 -38.96 90.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.023 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.98 -44.57 88.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.047 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.413 ' HB1' ' CE1' ' C' ' 134' ' ' TYR . . . -64.11 -40.82 97.03 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.181 0.515 . . . . 0.0 110.561 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.508 ' OE1' HD21 ' C' ' 128' ' ' LEU . 10.8 tp10 -62.61 -46.51 87.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.097 176.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.442 ' HE2' HG13 ' A' ' 635' ' ' VAL . 2.9 ttmp? -65.67 -50.42 65.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.596 -175.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.6 pt -63.02 -37.58 79.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.76 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -65.21 -47.23 77.61 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.123 -174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -64.23 -40.58 96.33 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.738 0.304 . . . . 0.0 111.352 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.969 HD13 HD12 ' B' ' 845' ' ' LEU . 18.6 mt -69.4 -48.47 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.292 0.568 . . . . 0.0 110.279 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -55.96 -40.62 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.909 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.443 ' O ' ' HD3' ' A' ' 662' ' ' LYS . 9.2 tmtt? -58.55 -40.59 83.45 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -61.79 -40.85 96.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.467 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.95 -41.77 98.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.079 0.466 . . . . 0.0 110.038 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.67 -45.18 79.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.209 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -39.63 88.12 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -64.56 -40.75 96.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.261 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -77.4 -48.34 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.354 -173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -70.52 -26.93 63.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.901 -171.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 22.8 t -92.11 8.61 37.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.799 0.333 . . . . 0.0 110.832 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 64.43 80.99 0.22 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.384 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 672' ' ' LEU . 1.8 pt? . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.398 172.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.515 -0.38 0 CA-C-O 121.04 0.448 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -61.08 127.58 32.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.522 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . -89.06 -107.11 1.1 Allowed Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.816 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 656' ' ' LYS . 1.0 OUTLIER -90.44 9.1 30.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -175.245 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 21.4 mt -130.21 128.21 64.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.969 HD12 HD13 ' A' ' 660' ' ' ILE . 2.4 mt -78.33 138.76 59.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.343 . . . . 0.0 111.098 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -78.46 173.22 14.07 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.87 2.38 . . . . 0.0 113.144 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 8.6 p -55.32 -43.27 74.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -54.11 -48.91 70.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -172.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.45 -39.65 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.082 0.467 . . . . 0.0 110.214 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 26.0 mmt -64.34 -43.45 94.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.431 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.99 -40.04 83.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.41 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -62.28 -49.96 73.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.239 0.337 . . . . 0.0 111.688 -175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 611' ' ' ILE . 12.3 p -65.42 -39.55 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.591 -177.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.84 -38.6 91.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 110.843 175.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -77.22 -41.14 42.44 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.67 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -92.35 128.88 38.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.174 0.511 . . . . 0.0 110.937 -174.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 28.4 m -105.66 119.76 51.52 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.254 177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 C--O 1.251 1.147 0 C-N-CA 122.318 2.012 . . . . 0.0 111.842 178.706 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.228 -0.064 0 CA-C-O 120.541 0.21 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.7 m -82.36 -28.82 31.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.241 0.543 . . . . 0.0 110.235 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -73.0 -56.74 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.343 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 74.3 p -94.62 33.76 1.4 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.992 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.52 -46.32 88.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.069 0.461 . . . . 0.0 110.297 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 19.6 t -60.2 -48.47 81.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.011 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -60.34 -43.86 96.05 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.477 0.18 . . . . 0.0 110.788 175.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.5 ' O ' HG23 ' C' ' 127' ' ' ILE . 35.6 mtpt -58.37 -48.57 80.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.998 177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.69 ' O ' HG12 ' C' ' 127' ' ' ILE . 2.3 ttp-105 -56.72 -42.62 79.51 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.24 178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -59.3 -46.37 88.76 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.205 0.526 . . . . 0.0 110.262 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -56.99 -39.79 75.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.908 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.69 HG12 ' O ' ' C' ' 124' ' ' ARG . 7.6 pt -57.13 -39.12 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 117.6 0.182 . . . . 0.0 111.249 -170.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.508 HD21 ' OE1' ' A' ' 655' ' ' GLU . 2.8 mm? -55.29 -39.32 69.74 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.467 0.48 . . . . 0.0 110.702 -177.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -56.0 -33.69 65.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.265 -175.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -138.77 60.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.489 0.661 . . . . 0.0 109.558 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.642 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.7 103.72 55.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.481 -176.419 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -42.93 -66.02 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.866 3.044 . . . . 0.0 114.379 -172.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . 0.473 ' HA ' ' HD3' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.588 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 75.8 t80 -62.03 -43.51 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.434 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' C' ' 135' ' ' ARG . 39.5 ttp180 -60.85 -44.48 96.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.584 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.473 ' HD3' ' HA ' ' C' ' 133' ' ' SEP . 50.9 mtpt -56.24 -53.76 53.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.432 179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 27.5 pt -71.73 -32.7 46.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.835 HD12 ' HE1' ' A' ' 650' ' ' TYR . 8.6 tp -57.95 -46.03 85.71 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.079 0.466 . . . . 0.0 110.689 -179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -64.39 -51.65 62.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.803 0.335 . . . . 0.0 111.878 176.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.71 -49.54 65.72 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.607 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 20.0 tp -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.265 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 75.1 p -77.16 -2.58 35.1 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 10.1 t -74.41 -1.71 22.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.43 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . 0.671 ' O ' ' HD3' ' C' ' 146' ' ' PRO . 39.0 t70 -171.75 80.94 0.07 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 120.922 0.391 . . . . 0.0 111.795 -176.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -92.94 91.13 0.48 Allowed Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 162.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . 0.671 ' HD3' ' O ' ' C' ' 144' ' ' ASP . 21.5 Cg_exo -65.4 155.71 67.24 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.106 2.537 . . . . 0.0 112.297 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 159.52 87.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.432 -0.89 . . . . 0.0 113.193 -170.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 11.6 t -153.41 129.24 5.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo . . . . . 0 C--O 1.249 1.063 0 C-N-CA 122.136 1.891 . . . . 0.0 111.768 178.048 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.759 -1.337 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 17.6 m -104.84 132.42 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 169.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.29 -2.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.173 0.511 . . . . 0.0 110.753 -173.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.707 ' HG3' ' ND2' ' A' ' 644' ' ' ASN . 21.1 ptmt -156.31 108.07 2.51 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 176.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -128.65 52.49 0.83 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 119.941 -1.123 . . . . 0.0 113.389 -167.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.468 ' HB2' ' O ' ' A' ' 644' ' ' ASN . 57.9 m95 -79.33 -29.57 42.35 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.642 ' HB3' ' HA ' ' A' ' 644' ' ' ASN . 56.7 p-80 -63.39 -15.95 59.07 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.301 176.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -64.04 -19.6 65.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.385 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -84.65 -13.88 50.22 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.759 0.314 . . . . 0.0 110.838 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.428 HG13 HD23 ' A' ' 599' ' ' LEU . 24.8 t -80.07 134.89 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 173.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.7 p -99.26 163.05 12.71 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.224 -0.19 . . . . 0.0 110.703 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -57.55 -39.37 76.52 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.848 0.356 . . . . 0.0 110.697 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.1 -46.04 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.459 HD11 ' HB1' ' C' ' 145' ' ' ALA . 46.9 tp -56.24 -43.55 78.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.43 178.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.68 ' O ' HG23 ' A' ' 604' ' ' VAL . 10.1 mtm180 -63.11 -46.22 88.33 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.6 t -55.53 -39.37 70.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.903 -175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -62.56 -44.53 96.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 0.0 109.986 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.447 HD13 HD12 ' A' ' 653' ' ' LEU . 20.4 mt -66.95 -40.72 87.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.627 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 CA-C-O 121.165 0.507 . . . . 0.0 109.896 176.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -59.74 -42.0 92.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.655 ' HD3' HD11 ' C' ' 141' ' ' LEU . 98.3 mttt -59.64 -38.21 80.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.086 175.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -43.09 99.5 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.965 0.412 . . . . 0.0 109.927 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.7 t -65.33 -47.93 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.986 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -54.51 -36.02 63.77 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.881 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -55.07 -39.16 68.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.057 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.507 HD11 HD13 ' B' ' 845' ' ' LEU . 37.6 mt -94.39 -41.62 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.437 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.09 94.36 48.58 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.601 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.33 -40.82 13.74 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.421 2.081 . . . . 0.0 112.235 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -149.5 98.66 3.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.421 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 2.5 Cg_endo -81.99 139.89 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.768 2.312 . . . . 0.0 111.948 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.485 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.1 p-10 -81.91 158.68 67.32 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.268 -0.424 . . . . 0.0 109.964 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.485 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.1 Cg_endo -45.65 -41.54 19.04 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.431 2.754 . . . . 0.0 113.866 -175.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 621' ' ' LYS . . . -78.74 -23.7 45.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 -175.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.15 67.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.572 0.701 . . . . 0.0 110.237 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.421 ' HG ' ' HB2' ' A' ' 615' ' ' PRO . 3.9 mt -67.23 -26.51 66.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.874 -1.057 . . . . 0.0 111.993 -176.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 618' ' ' ALA . 19.9 pttp -93.84 5.83 50.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.476 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 10.5 t0 -94.88 145.88 24.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 -173.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.92 -38.19 84.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.198 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.476 ' HG2' ' CG ' ' A' ' 622' ' ' ASP . 12.8 ptt180 -55.58 -40.44 72.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.281 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 629' ' ' VAL . 15.7 tpt -65.95 -41.91 90.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.611 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -59.24 -41.38 88.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.985 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -56.98 -40.87 77.34 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.468 177.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 29.7 tp -63.81 -46.56 84.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.642 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 625' ' ' MET . 2.5 t -64.18 -38.38 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 120.847 0.356 . . . . 0.0 110.236 177.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.15 96.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.629 -177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -64.48 -42.19 96.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.908 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.61 97.6 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.039 0.447 . . . . 0.0 109.899 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.55 -44.91 89.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.757 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -60.99 -48.84 79.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.48 ' O ' ' HG2' ' A' ' 639' ' ' MET . 75.9 t -57.81 -39.76 72.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.504 178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -54.46 -40.7 68.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.897 0.379 . . . . 0.0 110.031 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -64.94 -42.78 96.7 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.5 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -64.72 -40.25 95.03 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.433 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.0 mmt -66.11 -47.53 73.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.538 -178.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -55.78 -43.33 76.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.253 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.65 -47.86 65.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.65 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 22.4 t -88.06 -30.23 20.07 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -168.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.96 -59.25 3.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.228 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.707 ' ND2' ' HG3' ' A' ' 589' ' ' LYS . 5.1 t-20 57.0 9.37 0.62 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.918 -1.037 . . . . 0.0 113.703 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 4.4 m -144.61 149.58 35.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -65.3 -49.97 67.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.885 0.374 . . . . 0.0 110.355 -175.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -65.24 -42.69 93.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.804 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -64.09 -37.76 88.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.669 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -59.02 -43.99 91.64 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.672 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.852 ' CE1' HD12 ' C' ' 138' ' ' LEU . 58.1 t80 -65.07 -41.48 95.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.365 175.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -59.61 -49.31 78.25 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.849 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 60.6 mt -64.43 -43.29 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.825 -173.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.474 HD21 ' HG3' ' A' ' 639' ' ' MET . 85.8 mt -66.57 -41.88 87.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.388 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.72 93.45 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.057 0.456 . . . . 0.0 110.211 178.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.753 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 33.8 tt0 -64.34 -43.64 93.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.877 177.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' B' ' 843' ' ' ASN . 57.8 tttp -65.59 -50.7 64.13 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.467 -178.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.6 pt -64.87 -37.97 81.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.563 -176.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.555 ' O ' ' HG2' ' A' ' 662' ' ' LYS . 54.2 t80 -64.31 -50.63 67.09 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.656 -177.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -56.18 -49.19 74.72 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.397 0.436 . . . . 0.0 111.607 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.73 HG21 HD12 ' B' ' 845' ' ' LEU . 29.4 mt -68.3 -46.48 80.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.355 -173.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 665' ' ' GLU . 6.3 tp-100 -55.68 -43.7 76.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.029 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 658' ' ' TYR . 32.5 mmmt -61.94 -38.93 90.31 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.611 0.243 . . . . 0.0 110.617 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.22 -42.97 99.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.188 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.66 -39.47 88.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.476 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 669' ' ' ARG . 81.7 mt-10 -61.65 -50.97 70.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.276 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.93 -39.27 93.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.38 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -58.31 -45.48 87.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.82 0.343 . . . . 0.0 111.132 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -73.67 -29.51 62.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.389 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 665' ' ' GLU . 69.4 mtt180 -76.16 -18.72 58.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.567 178.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 15.9 m -95.01 7.93 44.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -39.12 142.44 0.23 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.236 174.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 672' ' ' LEU . 2.4 pt? . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.475 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -90.65 77.13 6.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.296 0.569 . . . . 0.0 111.155 -176.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 101.6 86.33 1.92 Allowed Glycine 0 N--CA 1.441 -1.005 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.431 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.481 ' O ' ' HG3' ' A' ' 656' ' ' LYS . 21.5 m120 -87.44 -56.9 3.16 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -177.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . 0.498 HG23 HG12 ' A' ' 660' ' ' ILE . 4.4 mt -102.27 148.59 7.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 -174.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.73 HD12 HG21 ' A' ' 660' ' ' ILE . 4.1 mt -77.37 131.37 72.02 Favored Pre-proline 0 N--CA 1.453 -0.284 0 CA-C-O 120.734 0.302 . . . . 0.0 110.417 177.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.84 162.67 38.86 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.686 2.257 . . . . 0.0 112.963 -178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -54.57 -39.99 68.31 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -171.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -54.96 -44.19 74.13 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.26 -40.81 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.108 0.48 . . . . 0.0 110.173 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -40.04 79.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.505 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 8.8 m-20 -53.7 -38.37 64.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.846 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -60.17 -52.35 65.68 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.291 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.88 -38.89 76.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 111.732 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.85 -39.67 94.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.607 0.241 . . . . 0.0 110.492 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -74.33 -46.87 38.07 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.506 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -123.09 127.05 48.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.343 0.592 . . . . 0.0 111.389 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 18.8 m -129.84 84.49 60.8 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.208 -0.905 . . . . 0.0 108.92 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.152 2.568 . . . . 0.0 112.521 -174.547 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 21.5 t70 . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 6.3 m -63.12 -29.27 70.67 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.9 -49.87 53.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.374 0.607 . . . . 0.0 110.004 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 73.1 p -81.31 12.96 3.17 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.535 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -56.1 -41.18 74.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.599 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t -57.33 -48.41 79.03 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.359 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -64.49 -41.53 96.4 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.38 0.61 . . . . 0.0 109.551 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -57.54 -48.0 80.5 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.359 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.67 ' O ' HG12 ' C' ' 127' ' ' ILE . 10.5 tpp180 -62.67 -42.99 99.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.201 176.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -57.12 -41.87 79.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.858 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.09 -40.21 80.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.67 HG12 ' O ' ' C' ' 124' ' ' ARG . 1.2 pt -62.73 -39.98 86.84 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' C' ' 128' ' ' LEU . 0.6 OUTLIER -66.49 -41.0 89.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.655 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.7 t -57.0 -25.97 59.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.789 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -153.45 77.99 1.14 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.019 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 19.9 tpt180 -112.17 122.27 37.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.761 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' C' ' 131' ' ' ARG . 49.5 Cg_exo -57.08 -41.37 75.33 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.488 2.792 . . . . 0.0 113.354 -176.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.753 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 21.9 m-85 -63.63 -42.35 98.17 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 120.487 -0.485 . . . . 0.0 109.871 170.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -55.76 -40.11 72.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -64.39 -61.1 2.43 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.045 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 45.1 pt -76.03 -37.32 33.37 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.852 HD12 ' CE1' ' A' ' 650' ' ' TYR . 4.1 tp -53.3 -47.9 68.84 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 117.85 0.296 . . . . 0.0 110.504 -177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -67.0 -53.8 27.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.86 -51.09 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -174.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.742 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 57.5 tp -57.62 -39.11 76.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.388 -176.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 94.0 p -84.74 -6.63 59.36 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 122.059 -0.4 . . . . 0.0 111.864 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 8.3 t -66.09 -16.67 64.14 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -170.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . 0.455 ' C ' ' HD3' ' C' ' 146' ' ' PRO . 31.7 t70 -147.2 64.55 1.16 Allowed 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 121.542 0.686 . . . . 0.0 111.155 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -109.84 69.46 0.5 Allowed Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.773 168.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' C' ' 144' ' ' ASP . 3.8 Cg_exo -72.14 126.02 11.39 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.269 1.979 . . . . 0.0 112.92 -173.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.607 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -166.77 169.83 40.94 Favored Glycine 0 N--CA 1.432 -1.614 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 167.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 41.6 t 81.83 96.53 0.04 OUTLIER Pre-proline 0 C--N 1.316 -0.848 0 O-C-N 124.345 0.674 . . . . 0.0 110.542 175.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.452 -0.948 0 C-N-CA 122.984 2.456 . . . . 0.0 111.94 177.623 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.681 0 CA-C-O 119.954 -0.359 . . . . 0.0 113.526 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 4.1 m -137.67 67.25 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-N 117.73 0.765 . . . . 0.0 112.984 -171.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 30.6 tpt180 70.42 -15.14 0.37 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.934 168.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -143.89 80.25 1.65 Allowed 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -91.24 19.17 48.47 Favored Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.718 -0.673 . . . . 0.0 113.748 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.442 ' HB2' ' OH ' ' A' ' 640' ' ' TYR . 24.9 m95 -50.1 -33.75 19.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.826 0.313 . . . . 0.0 111.467 174.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -59.46 -22.22 61.2 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.693 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -74.15 -33.03 63.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.828 -172.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -110.36 -0.6 17.54 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.471 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 43.3 t -120.59 99.58 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 175.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 70.9 p -102.56 168.69 9.12 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.839 -166.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.9 pm0 -56.69 -39.31 73.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.784 174.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . 0.49 ' O ' ' HD2' ' A' ' 602' ' ' HIS . 19.7 t70 -60.94 -50.34 73.81 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.695 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.02 -49.53 76.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.608 ' O ' HG23 ' A' ' 604' ' ' VAL . 77.4 mtp180 -59.32 -38.85 81.33 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.997 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.7 m -54.56 -38.65 66.91 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.046 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.49 ' HD2' ' O ' ' A' ' 598' ' ' ASP . 52.1 m-70 -64.51 -42.91 95.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.25 0.547 . . . . 0.0 109.804 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.741 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 29.4 mt -66.94 -45.11 78.85 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.697 -177.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -58.74 -40.71 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-O 120.942 0.401 . . . . 0.0 110.381 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -59.83 -43.69 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.526 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.741 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 0.0 OUTLIER -59.76 -35.74 75.22 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.534 -0.173 . . . . 0.0 110.534 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -49.61 74.53 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.06 -49.13 81.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.651 175.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -55.42 -37.54 67.79 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.495 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.33 -39.09 72.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.433 ' CD1' HD13 ' B' ' 845' ' ' LEU . 44.5 mt -95.52 -38.88 9.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.794 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.27 87.36 23.86 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -59.33 -41.28 60.21 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.619 2.213 . . . . 0.0 112.453 -175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.6 t -147.43 90.5 5.24 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 121.296 0.569 . . . . 0.0 110.739 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.01 135.29 40.22 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.527 2.152 . . . . 0.0 111.729 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -88.42 164.82 31.17 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.15 -38.62 71.41 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.187 1.925 . . . . 0.0 113.18 -175.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -76.87 -21.25 55.25 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.201 -0.312 . . . . 0.0 111.561 -177.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.02 -44.98 60.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.339 0.59 . . . . 0.0 109.945 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.8 mt -66.45 -16.3 64.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.109 -175.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.439 ' HD2' ' C ' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -99.61 1.3 43.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.409 ' OD1' ' HG3' ' A' ' 624' ' ' ARG . 10.2 t70 -95.25 139.64 31.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.263 0.554 . . . . 0.0 110.736 -170.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -60.81 -38.91 87.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.917 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.409 ' HG3' ' OD1' ' A' ' 622' ' ' ASP . 55.4 mtt180 -66.07 -40.33 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -66.41 -42.51 87.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.84 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -57.31 -40.89 78.81 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.791 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -58.26 -38.7 77.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.334 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.69 -47.4 81.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.467 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.75 -37.6 80.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 121.117 0.484 . . . . 0.0 110.08 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.491 ' HA ' ' HD2' ' A' ' 633' ' ' LYS . . . -64.16 -39.22 93.54 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 121.597 0.713 . . . . 0.0 109.619 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -65.48 -38.91 91.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.795 -1.093 . . . . 0.0 110.044 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -58.18 -41.57 84.16 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' A' ' 630' ' ' ALA . 12.0 mttm -61.75 -48.09 82.26 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.271 0.558 . . . . 0.0 110.428 177.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -55.68 -47.58 76.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.314 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.95 -41.8 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.906 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -55.02 -39.5 69.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.478 0.656 . . . . 0.0 109.819 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -62.56 -41.87 99.76 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.76 -0.734 . . . . 0.0 111.934 178.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -57.84 -39.47 77.76 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.087 0.47 . . . . 0.0 110.373 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.474 ' HE2' ' HD2' ' A' ' 656' ' ' LYS . 24.7 mmt -64.88 -52.84 54.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.614 -174.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.442 ' OH ' ' HB2' ' A' ' 591' ' ' TRP . 32.4 t80 -66.23 -39.79 89.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.167 -176.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.5 mt-10 -60.74 -39.34 88.32 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.787 0.327 . . . . 0.0 111.432 -176.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 20.0 p -95.59 -22.54 17.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.917 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -55.01 -69.05 0.14 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 67.2 t30 64.94 0.98 1.32 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.174 0.59 . . . . 0.0 112.066 -177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 38.1 m -158.24 151.33 22.84 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -65.43 -42.15 92.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.15 -43.09 96.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.864 0.364 . . . . 0.0 110.988 -177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.3 -37.42 87.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.973 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.72 -49.97 71.6 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.257 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.535 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 83.0 t80 -65.0 -43.58 92.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.785 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -55.9 -49.23 74.01 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.058 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.78 -40.8 95.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.096 -175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.601 ' O ' HG12 ' A' ' 657' ' ' ILE . 11.3 mt -63.65 -49.75 72.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.907 178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.79 96.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.773 -177.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -64.82 -51.1 63.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.323 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 843' ' ' ASN . 27.9 ttmt -68.15 -44.96 74.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.482 -175.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 653' ' ' LEU . 37.6 pt -59.75 -39.18 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.182 -178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -62.4 -40.17 95.64 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 117.864 0.302 . . . . 0.0 110.681 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -57.57 -50.45 73.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 0.0 110.674 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.788 HD13 HD12 ' B' ' 845' ' ' LEU . 20.0 mt -69.6 -42.62 80.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.435 0.636 . . . . 0.0 110.231 -179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -54.95 -40.51 70.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.81 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.394 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.38 -43.35 96.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.034 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.414 ' CD2' ' HG3' ' B' ' 850' ' ' MET . 47.4 mt -62.81 -39.71 95.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.834 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.47 -49.41 71.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.898 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.56 -39.65 88.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.067 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.3 -41.86 99.0 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.444 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -74.32 -29.91 61.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.165 0.507 . . . . 0.0 109.842 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -80.72 -19.88 44.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.771 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 8.2 t -64.15 -24.37 67.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.624 -174.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 670' ' ' SER . 18.1 ptp180 160.87 142.17 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 123.535 0.734 . . . . 0.0 109.344 -174.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 672' ' ' LEU . 2.5 pt? . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.16 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.043 0.449 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . 0.417 ' HB2' ' HG3' ' B' ' 846' ' ' PRO . . . -79.31 65.45 4.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.555 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . -78.52 -95.55 0.26 Allowed Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.205 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.49 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 17.2 m120 -108.16 7.04 27.33 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 29.2 pt -133.53 153.35 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.788 HD12 HD13 ' A' ' 660' ' ' ILE . 2.6 mt -77.09 126.0 85.97 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 -173.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' B' ' 841' ' ' ALA . 87.2 Cg_endo -79.52 175.07 11.07 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.811 2.341 . . . . 0.0 113.418 -174.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.7 m -54.84 -40.19 69.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -54.84 -49.55 70.8 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -175.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 33.4 mm -65.06 -40.89 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.296 0.569 . . . . 0.0 110.281 -178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.414 ' HG3' ' CD2' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -60.86 -43.27 98.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.506 176.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.65 -39.82 89.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.403 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -60.54 -50.36 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.28 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.8 p -66.29 -38.74 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.269 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.414 HD23 ' O ' ' B' ' 850' ' ' MET . 3.7 mm? -63.65 -39.41 94.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.909 176.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -68.2 -30.01 68.99 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.07 0.462 . . . . 0.0 110.721 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -93.0 163.85 13.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.443 176.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 57.2 m -154.65 93.77 2.8 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 C--O 1.248 0.985 0 C-N-CA 123.062 2.508 . . . . 0.0 112.033 -178.822 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 5.3 p -80.95 -34.3 33.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.366 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.26 -60.36 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.767 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 79.7 p -92.17 43.78 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 110.33 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.36 -47.82 84.41 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.589 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 47.1 t -58.43 -50.32 74.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.371 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -42.6 99.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.808 -0.178 . . . . 0.0 111.171 177.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.575 ' O ' HG23 ' C' ' 127' ' ' ILE . 20.9 ttmm -61.18 -42.99 99.55 Favored 'General case' 0 N--CA 1.436 -1.131 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.454 178.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.648 ' O ' HG12 ' C' ' 127' ' ' ILE . 3.5 tmm_? -55.27 -42.5 73.66 Favored 'General case' 0 C--O 1.222 -0.378 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 175.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -62.79 -44.45 96.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.34 0.591 . . . . 0.0 110.158 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' C' ' 123' ' ' LYS . 20.3 tt0 -55.16 -40.81 71.07 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.107 -0.952 . . . . 0.0 112.625 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.666 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 6.0 pt -59.93 -41.3 85.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.361 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.649 -173.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.48 HD12 ' CE2' ' C' ' 134' ' ' TYR . 2.1 mm? -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.851 0.357 . . . . 0.0 110.464 -178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 16.5 m -60.8 -23.79 65.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.696 -0.683 . . . . 0.0 112.07 -178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -140.45 55.03 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.53 0.681 . . . . 0.0 109.83 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.666 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -114.83 100.78 53.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.891 -178.207 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' C' ' 131' ' ' ARG . 18.5 Cg_endo -59.2 -44.76 31.62 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.639 2.226 . . . . 0.0 113.262 -176.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.523 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 36.4 t80 -61.36 -43.36 98.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.952 177.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -59.97 -41.29 91.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.781 0.324 . . . . 0.0 110.238 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' C' ' 136' ' ' LYS . 8.0 tmtm? -57.5 -56.33 23.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.513 178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.27 -33.59 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.126 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.385 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 650' ' ' TYR . 19.3 tp -64.4 -49.73 70.42 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.884 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -65.47 -50.07 66.7 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -174.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.88 -48.48 74.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.331 0.586 . . . . 0.0 111.795 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.535 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 34.8 tp -67.38 -37.04 82.53 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.611 -172.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.532 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 16.3 p -63.87 2.11 0.55 Allowed 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -169.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' C' ' 144' ' ' ASP . 21.8 t -65.08 18.14 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 178.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' C' ' 142' ' ' SER . 23.1 t0 82.27 85.42 0.04 OUTLIER 'General case' 0 C--N 1.347 0.476 0 C-N-CA 123.684 0.794 . . . . 0.0 111.111 169.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -34.03 113.44 0.43 Allowed Pre-proline 0 N--CA 1.48 1.035 0 O-C-N 123.752 0.657 . . . . 0.0 112.477 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.76 125.3 13.02 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.505 2.137 . . . . 0.0 112.147 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . -144.46 -115.6 1.02 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.27 172.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 24.3 t 65.32 106.13 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.348 0 CA-C-O 121.061 0.457 . . . . 0.0 111.13 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo . . . . . 0 C--O 1.248 0.976 0 C-N-CA 123.011 2.474 . . . . 0.0 111.894 178.263 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.516 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 4.6 m -85.11 94.33 3.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.514 0.673 . . . . 0.0 110.596 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -130.51 83.94 2.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.87 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -137.11 94.44 2.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.339 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -97.19 10.12 65.44 Favored Glycine 0 C--N 1.33 0.215 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.612 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -49.68 -50.8 42.14 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 172.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -61.21 -19.23 61.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.823 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -79.62 -33.81 41.16 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.806 -175.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -105.76 -7.24 18.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.833 0.349 . . . . 0.0 110.659 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 46.6 t -120.66 104.9 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 42.2 p -102.04 168.26 9.51 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.954 -167.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.548 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -55.53 -39.79 70.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.797 175.111 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -58.97 -49.35 78.21 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 58.7 tp -59.91 -49.17 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.01 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.593 ' O ' HG23 ' A' ' 604' ' ' VAL . 81.2 mtp180 -61.95 -43.04 99.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.657 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 47.7 m -58.63 -39.3 80.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.783 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.599 ' NE2' ' HA3' ' C' ' 147' ' ' GLY . 38.2 m170 -64.27 -40.06 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 653' ' ' LEU . 24.5 mt -65.48 -46.87 78.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.389 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -59.57 -40.65 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 120.887 0.375 . . . . 0.0 110.65 176.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -57.65 -39.79 77.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.809 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.533 ' NZ ' ' HG ' ' C' ' 141' ' ' LEU . 54.0 mtpt -64.1 -38.64 91.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.789 177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -46.99 80.75 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.6 t -64.51 -45.68 94.93 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.446 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -55.67 -38.64 69.88 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.925 0.393 . . . . 0.0 111.211 -178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.12 -38.03 72.85 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.46 0.648 . . . . 0.0 110.534 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.433 ' CD1' HD11 ' A' ' 628' ' ' LEU . 48.3 mt -89.5 -36.04 8.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.492 -176.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.11 84.97 55.02 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.012 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -65.18 -41.9 15.17 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.171 1.914 . . . . 0.0 112.556 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 39.1 p -131.61 75.14 77.09 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.302 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -80.87 140.86 13.03 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.78 1.653 . . . . 0.0 111.783 176.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -90.2 168.04 15.43 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.42 ' HA ' HD12 ' A' ' 620' ' ' LEU . 50.8 Cg_exo -51.97 -36.27 63.88 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.215 1.943 . . . . 0.0 113.164 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.76 -24.7 56.07 Favored 'General case' 0 CA--C 1.519 -0.213 0 O-C-N 122.195 -0.315 . . . . 0.0 111.238 -177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.76 -42.22 64.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.1 mt -65.39 -30.07 70.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.007 -177.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -95.62 11.96 31.38 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.59 0.233 . . . . 0.0 111.46 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -91.67 133.46 35.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.907 0.384 . . . . 0.0 110.071 -174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.2 -39.72 83.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.68 -177.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.18 -40.62 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.102 0.477 . . . . 0.0 110.12 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 2.0 tmt? -65.75 -39.98 91.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.851 176.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -56.72 -39.76 74.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.285 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -58.82 -39.11 80.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 176.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 611' ' ' ILE . 41.4 tp -60.69 -42.14 96.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.057 178.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.53 -37.4 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.248 176.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.24 95.39 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.217 0.532 . . . . 0.0 109.921 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -65.69 -40.02 91.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.016 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.69 88.94 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.248 0.546 . . . . 0.0 109.889 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 633' ' ' LYS . 13.5 tmtt? -59.25 -46.04 89.57 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.787 176.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -62.91 -49.04 76.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.828 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 78.0 t -57.24 -45.6 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.316 177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.432 ' HG3' HG22 ' A' ' 604' ' ' VAL . 5.7 tm-20 -61.99 -39.61 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 109.806 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.09 -38.81 87.95 Favored Glycine 0 N--CA 1.452 -0.236 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.687 177.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.24 -37.93 81.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.482 0.658 . . . . 0.0 110.367 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.403 ' HE2' ' HD2' ' A' ' 656' ' ' LYS . 22.2 mmt -63.94 -49.02 74.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.959 -175.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -63.97 -39.69 94.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.68 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 47.3 mt-10 -64.61 -40.5 95.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.178 0.513 . . . . 0.0 110.915 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.6 m -88.06 -29.58 20.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.876 -174.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -58.33 -70.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.34 8.93 2.33 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.38 -175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 40.2 m -156.1 158.33 37.54 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.677 -0.64 . . . . 0.0 109.615 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -65.14 -49.79 68.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.739 0.304 . . . . 0.0 111.669 -177.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.88 -43.32 96.41 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.567 -173.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -64.13 -36.45 84.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.407 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -57.49 -50.44 73.05 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.46 ' HE2' ' CD1' ' C' ' 138' ' ' LEU . 55.9 t80 -65.88 -44.18 86.09 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.9 0.381 . . . . 0.0 110.417 178.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -61.82 -44.73 96.26 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.615 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.23 -39.24 93.56 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -175.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 657' ' ' ILE . 14.0 mt -59.32 -49.28 78.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.56 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.24 -42.17 96.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.098 0.475 . . . . 0.0 110.308 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.54 ' OE2' HD21 ' C' ' 128' ' ' LEU . 18.6 tp10 -59.98 -51.34 70.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.827 -177.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 20.9 ttmt -68.26 -43.32 78.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.489 -176.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 653' ' ' LEU . 32.3 pt -62.18 -39.34 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.519 ' CE2' ' HG2' ' C' ' 131' ' ' ARG . 6.6 t80 -60.47 -39.56 88.08 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 118.369 0.532 . . . . 0.0 111.192 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.491 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 0.8 OUTLIER -58.94 -50.92 72.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.882 179.756 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.815 HD13 HD12 ' B' ' 845' ' ' LEU . 23.8 mt -68.98 -44.37 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.459 0.647 . . . . 0.0 110.183 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -54.67 -40.93 69.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.145 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 110.092 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 16.3 tt0 -65.62 -38.73 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.787 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.582 HD21 ' SD ' ' B' ' 850' ' ' MET . 31.2 mt -56.55 -41.83 77.52 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.24 -45.87 89.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.296 176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.1 -38.85 92.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.806 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -57.27 -49.06 77.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.66 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -73.52 -23.21 59.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.364 0.602 . . . . 0.0 110.191 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -74.97 -20.93 59.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.056 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 17.0 m -96.68 0.21 49.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.575 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 671' ' ' ARG . 6.9 tmm_? -42.63 136.46 2.51 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.399 176.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.553 -0.736 . . . . 0.0 109.694 -177.186 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.313 0.578 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -92.46 60.14 3.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.123 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 95.57 163.05 34.08 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.335 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -78.14 61.52 2.67 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.023 0.439 . . . . 0.0 110.1 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 50.4 pt -74.1 150.7 7.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 173.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.815 HD12 HD13 ' A' ' 660' ' ' ILE . 2.6 mt -79.07 122.16 84.1 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.523 -175.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.65 173.87 10.94 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.567 2.178 . . . . 0.0 112.773 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 26.8 t -57.79 -41.47 82.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.7 -49.02 71.72 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -172.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 46.0 mm -65.42 -41.28 90.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.072 0.463 . . . . 0.0 110.741 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.582 ' SD ' HD21 ' A' ' 664' ' ' LEU . 30.7 mmt -65.19 -38.5 90.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.468 -178.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.34 -37.76 62.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.942 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -57.44 -49.81 75.06 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.142 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.533 HG12 ' O ' ' B' ' 850' ' ' MET . 9.2 p -66.45 -39.69 84.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.17 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.404 HD23 ' O ' ' B' ' 850' ' ' MET . 4.0 mm? -55.92 -38.98 70.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.884 0.373 . . . . 0.0 110.579 175.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' B' ' 855' ' ' LYS . 4.3 ttmp? -99.62 17.97 19.18 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.261 0.553 . . . . 0.0 110.497 -174.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -110.36 140.18 44.81 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.109 -0.37 . . . . 0.0 110.807 -178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 50.1 m -124.89 103.91 30.48 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.201 175.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 123.324 2.682 . . . . 0.0 112.129 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.9 m -64.25 -29.77 70.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.914 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 80.5 t -55.91 -46.93 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.542 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 20.0 p -84.56 12.24 7.36 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.604 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 41.8 m-20 -56.6 -38.4 71.99 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.598 0.237 . . . . 0.0 111.357 175.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 26.0 t -57.17 -42.14 80.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.462 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -63.07 -43.09 99.54 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-O 120.725 0.297 . . . . 0.0 110.8 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 29.5 pttt -63.05 -40.96 99.28 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.414 ' O ' HG12 ' C' ' 127' ' ' ILE . 0.0 OUTLIER -62.95 -44.54 95.79 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.33 178.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -57.9 -40.26 79.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.474 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -56.47 -40.25 74.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.66 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.71 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 0.5 OUTLIER -65.62 -39.98 86.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.025 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.603 HD22 HG12 ' C' ' 127' ' ' ILE . 2.2 mm? -66.88 -45.99 76.35 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.365 0.602 . . . . 0.0 110.186 -176.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 37.6 m -57.88 -34.53 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.842 -1.072 . . . . 0.0 112.129 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' C' ' 130' ' ' ARG . 4.7 tpm_? -131.44 59.33 1.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.25 0.548 . . . . 0.0 110.028 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.71 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 12.3 tpt180 -112.97 119.08 43.48 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -48.36 -68.87 0.08 OUTLIER 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 123.21 2.607 . . . . 0.0 113.557 -172.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.593 ' CZ ' HD12 ' C' ' 128' ' ' LEU . 24.4 t80 -58.3 -48.29 80.95 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.511 0.189 . . . . 0.0 111.511 -175.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -64.04 -41.95 97.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.167 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.84 -43.87 90.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.4 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . 0.657 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 29.3 pt -75.16 -40.96 44.46 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.668 178.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 650' ' ' TYR . 14.3 tp -55.63 -47.92 75.81 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -175.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -63.72 -49.4 73.2 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.36 -42.08 93.17 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.413 0.625 . . . . 0.0 111.197 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.657 ' HB2' ' O ' ' C' ' 137' ' ' ILE . 12.8 tp -60.39 -40.25 90.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.638 -1.164 . . . . 0.0 111.551 -171.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 2.2 p -68.47 -26.81 65.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.418 0.628 . . . . 0.0 111.542 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 9.6 t -93.67 44.77 1.14 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -171.81 76.79 0.06 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.983 -171.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -110.37 72.11 0.68 Allowed Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 168.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -65.88 127.49 17.88 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.102 2.534 . . . . 0.0 114.129 -162.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.599 ' HA3' ' NE2' ' A' ' 602' ' ' HIS . . . 158.33 -137.18 5.13 Favored Glycine 0 N--CA 1.438 -1.202 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 173.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 54.7 t 74.4 100.8 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 C-N-CA 122.938 0.495 . . . . 0.0 110.307 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 C--O 1.247 0.953 0 C-N-CA 122.989 2.459 . . . . 0.0 111.958 -178.491 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.79 98.53 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-O 121.554 0.692 . . . . 0.0 109.714 173.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -79.62 -68.23 0.69 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.772 -176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -112.1 65.51 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.406 0.622 . . . . 0.0 111.228 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -93.52 -4.96 63.66 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.036 173.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.418 ' HB3' ' HG3' ' A' ' 646' ' ' ARG . 10.2 m95 -50.93 -52.3 43.61 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 122.806 0.442 . . . . 0.0 111.974 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -67.29 -13.19 61.75 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.251 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -73.39 -28.53 62.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.655 0.264 . . . . 0.0 110.343 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.492 ' O ' ' HA3' ' C' ' 147' ' ' GLY . 56.0 t-80 -86.77 -10.97 52.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.859 0.361 . . . . 0.0 110.837 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 74.9 t -103.09 113.51 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.527 ' O ' ' HG3' ' A' ' 600' ' ' ARG . 45.8 p -97.33 176.89 5.73 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -175.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -62.15 -38.94 90.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.65 -48.28 81.57 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.717 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.519 HD11 ' HB1' ' C' ' 145' ' ' ALA . 49.6 tp -61.89 -40.73 96.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.46 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 604' ' ' VAL . 77.2 mtp180 -63.75 -50.53 68.7 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.471 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 41.7 t -55.66 -42.03 74.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.364 -177.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.454 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 42.1 m80 -65.53 -40.35 92.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.501 179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 18.3 mt -65.91 -46.89 76.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.927 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 600' ' ' ARG . 1.8 t -64.15 -40.52 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.108 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.29 -46.09 83.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.415 173.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.488 ' HD3' HD11 ' C' ' 141' ' ' LEU . 97.5 mttt -56.4 -39.26 72.7 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.943 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.0 -44.5 95.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.945 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.33 -49.19 82.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.892 175.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 612' ' ' PHE . 16.5 mm100 -55.36 -37.31 67.32 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.333 0.587 . . . . 0.0 110.523 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.13 -39.73 79.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.006 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 31.8 mt -90.99 -36.27 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.243 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -126.7 102.85 25.07 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -178.399 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 20.8 Cg_endo -58.25 -41.62 64.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.723 2.282 . . . . 0.0 112.869 -174.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.9 t -162.7 89.17 1.32 Allowed Pre-proline 0 C--N 1.321 -0.649 0 CA-C-O 121.287 0.565 . . . . 0.0 111.147 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.72 146.01 59.14 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.472 2.114 . . . . 0.0 111.904 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -86.01 161.58 49.34 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.032 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.513 ' HA ' HD12 ' A' ' 620' ' ' LEU . 51.3 Cg_exo -51.45 -37.6 62.04 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 122.343 2.029 . . . . 0.0 113.543 -175.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -79.65 -21.46 44.79 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.0 -0.437 . . . . 0.0 110.994 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.27 -38.72 65.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.437 0.637 . . . . 0.0 110.1 176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.1 mt -65.83 -22.41 66.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.179 -0.919 . . . . 0.0 112.284 -175.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -99.17 10.81 40.7 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 111.63 0.234 . . . . 0.0 111.63 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -91.88 143.37 26.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.671 0.272 . . . . 0.0 110.364 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.26 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.156 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -66.41 -41.35 89.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 109.543 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.46 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 1.8 tmt? -66.14 -38.92 89.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.002 176.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -54.96 -39.45 68.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.648 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -58.48 -38.32 77.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 625' ' ' MET . 21.0 tp -63.5 -49.46 73.46 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.19 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -40.49 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.521 0.677 . . . . 0.0 110.861 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.17 82.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.232 175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -62.69 -42.65 99.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.129 177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.11 95.12 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.209 0.528 . . . . 0.0 110.108 -178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -62.58 -43.97 97.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.09 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.6 -42.83 95.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.716 0.293 . . . . 0.0 111.297 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.453 ' O ' ' HG2' ' A' ' 639' ' ' MET . 54.7 t -59.15 -44.76 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.437 177.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -57.16 -41.48 79.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.068 0.461 . . . . 0.0 109.981 177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.76 -41.06 95.94 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.115 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -61.46 -38.92 89.0 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.453 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 26.0 mmt -56.05 -45.17 79.33 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.628 -175.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -55.76 -41.44 73.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 120.988 0.423 . . . . 0.0 111.02 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -66.55 -47.36 73.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.558 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 10.8 p -88.04 -53.21 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -172.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.411 ' HB2' HD12 ' A' ' 652' ' ' LEU . . . -56.13 -48.26 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -173.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.4 t30 72.41 -29.57 0.2 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.491 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 10.7 m -125.35 159.67 31.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.997 0.362 . . . . 0.0 110.71 -173.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.505 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 62.2 mtp180 -66.57 -51.16 59.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -175.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -65.46 -41.62 93.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.14 0.495 . . . . 0.0 110.449 -176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.41 -35.76 81.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.293 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 646' ' ' ARG . 16.6 t80 -55.32 -47.72 75.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.328 177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.73 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 39.1 t80 -67.24 -43.81 80.99 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.036 177.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -57.42 -44.78 84.92 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.743 -174.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 643' ' ' ALA . 38.6 mt -64.58 -38.3 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.76 -179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.18 -42.37 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.716 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.32 90.79 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.091 0.472 . . . . 0.0 110.702 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.762 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 30.9 tt0 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.624 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -63.49 -49.39 73.74 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.976 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 33.7 pt -64.0 -38.53 82.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.635 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -59.88 -44.03 94.44 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 117.779 0.263 . . . . 0.0 111.046 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -55.93 -49.16 74.26 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 111.408 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.443 HD13 HD11 ' B' ' 845' ' ' LEU . 42.9 mt -65.6 -51.23 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.489 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -56.79 -40.85 76.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.021 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -62.39 -49.63 74.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.343 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -64.74 -40.12 94.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.963 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.25 -41.74 80.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.982 0.42 . . . . 0.0 110.43 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.81 -47.64 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -39.55 94.99 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.265 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -59.85 -46.23 89.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.658 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -73.28 -31.26 63.96 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.157 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -69.92 -33.4 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.704 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 7.0 m -92.47 -7.4 47.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.057 0.456 . . . . 0.0 111.015 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 76.7 mtm180 60.98 54.03 3.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.309 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--O 1.248 0.994 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.731 -177.207 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 121.331 0.586 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -101.64 26.16 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.579 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 94.81 67.92 1.03 Allowed Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.986 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.433 HD22 ' HA ' ' B' ' 843' ' ' ASN . 0.7 OUTLIER -70.61 -31.97 69.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.973 -0.613 . . . . 0.0 109.956 176.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 4.1 mt -120.17 151.86 22.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.636 HD12 ' H ' ' B' ' 845' ' ' LEU . 0.4 OUTLIER -88.94 143.28 31.19 Favored Pre-proline 0 C--N 1.319 -0.742 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -60.61 167.68 7.92 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.308 2.005 . . . . 0.0 112.199 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 9.3 t -54.5 -37.86 65.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.679 0.276 . . . . 0.0 110.306 -176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -53.59 -46.76 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.473 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.99 -44.48 96.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 121.166 0.508 . . . . 0.0 110.046 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.561 ' SD ' ' HB2' ' B' ' 845' ' ' LEU . 0.0 OUTLIER -63.27 -43.28 98.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.5 178.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.87 -41.04 97.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.066 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.53 -45.92 85.12 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.921 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.78 -38.66 89.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.459 172.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . 0.511 ' HA ' ' HE3' ' B' ' 855' ' ' LYS . 0.1 OUTLIER -68.87 -24.15 64.31 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -176.247 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . 0.54 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 7.1 t30 -92.44 135.09 34.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 26.5 m -95.14 105.17 17.93 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.008 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.54 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 5.5 Cg_exo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.691 2.261 . . . . 0.0 111.046 176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . 0.498 ' HA ' ' HD2' ' C' ' 123' ' ' LYS . 16.4 t70 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 11.1 p -85.98 -41.42 14.88 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -173.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 90.5 t -79.95 -58.75 3.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.343 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 82.2 p -95.03 46.34 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.402 0.62 . . . . 0.0 110.829 -177.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.719 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 15.0 p-10 -58.81 -47.89 83.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.669 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 44.7 t -56.86 -49.48 75.35 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.95 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.34 -43.98 97.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.809 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.721 ' O ' HG23 ' C' ' 127' ' ' ILE . 8.1 ptmm? -57.34 -42.63 82.31 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.75 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -53.45 -47.35 69.8 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.193 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -65.1 -48.97 71.79 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.286 0.565 . . . . 0.0 110.483 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.79 -41.54 82.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.03 -0.986 . . . . 0.0 113.658 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.721 HG23 ' O ' ' C' ' 123' ' ' LYS . 7.0 pt -59.1 -40.46 80.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.323 0.51 . . . . 0.0 110.842 -175.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.431 HD12 ' CZ ' ' C' ' 134' ' ' TYR . 0.6 OUTLIER -65.12 -40.56 94.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.323 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 11.2 t -56.08 -37.84 69.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.316 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -152.79 89.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.458 0.647 . . . . 0.0 110.169 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.614 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.32 130.01 24.06 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.245 179.221 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -58.95 -27.75 85.67 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.59 2.193 . . . . 0.0 111.923 177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . 0.409 ' O1P' ' HA ' ' C' ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.762 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 10.5 m-85 -62.21 -38.36 88.86 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-O 120.918 0.39 . . . . 0.0 110.19 174.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -53.69 -40.1 65.72 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -76.56 -60.3 2.4 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.86 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . 0.526 HG13 ' N ' ' C' ' 138' ' ' LEU . 28.5 pt -77.71 -50.76 19.4 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.206 -173.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.526 ' N ' HG13 ' C' ' 137' ' ' ILE . 9.2 tp -56.02 -42.74 76.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.129 0.422 . . . . 0.0 111.479 -172.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -63.99 -52.73 58.22 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.702 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.02 -46.52 70.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.463 0.649 . . . . 0.0 111.518 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.488 HD11 ' HD3' ' A' ' 606' ' ' LYS . 20.2 tp -62.0 -38.27 87.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.407 -170.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.73 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 6.4 p -66.84 -33.62 76.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.333 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.1 m 39.96 22.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 34.4 t70 61.27 64.1 1.14 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 -175.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -32.8 96.02 0.09 OUTLIER Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.645 1.178 . . . . 0.0 113.656 -169.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . 0.44 ' O ' HD13 ' A' ' 599' ' ' LEU . 12.3 Cg_exo -68.21 125.42 12.95 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.03 2.487 . . . . 0.0 112.678 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.492 ' HA3' ' O ' ' A' ' 594' ' ' HIS . . . -130.67 53.73 0.8 Allowed Glycine 0 C--N 1.32 -0.315 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.827 173.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.492 ' HB ' ' HD3' ' C' ' 149' ' ' PRO . 12.7 t -146.71 -51.99 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 122.309 0.244 . . . . 0.0 111.398 -177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . 0.492 ' HD3' ' HB ' ' C' ' 148' ' ' VAL . 2.6 Cg_exo . . . . . 0 C--O 1.251 1.131 0 C-N-CA 122.145 1.897 . . . . 0.0 111.954 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 120.1 -0.278 . . . . 0.0 113.717 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.88 95.47 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 117.793 0.797 . . . . 0.0 111.867 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.01 55.52 7.0 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.617 172.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 589' ' ' LYS . 18.8 ptpt -140.4 111.1 6.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.425 0.631 . . . . 0.0 109.418 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -95.17 -8.41 58.88 Favored Glycine 0 CA--C 1.521 0.412 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.923 -172.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -50.8 -54.26 25.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -69.93 -9.69 55.92 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.342 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -86.09 -24.27 26.36 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.558 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -93.82 -9.67 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.076 0.465 . . . . 0.0 110.339 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 68.9 t -101.38 122.78 53.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.087 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.459 ' HB ' ' NE2' ' A' ' 597' ' ' GLN . 38.6 p -107.82 170.08 8.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.234 -176.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.459 ' NE2' ' HB ' ' A' ' 596' ' ' THR . 0.9 OUTLIER -55.97 -40.31 73.07 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.085 0.24 . . . . 0.0 111.098 179.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.49 -49.85 76.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.194 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.521 HD11 ' HB1' ' C' ' 145' ' ' ALA . 50.8 tp -58.01 -40.83 81.75 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.937 0.399 . . . . 0.0 110.457 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 604' ' ' VAL . 41.3 mtp180 -62.84 -45.14 94.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.41 178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 50.0 m -58.36 -40.66 82.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.147 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.558 ' O ' ' HG3' ' A' ' 606' ' ' LYS . 90.5 m-70 -64.8 -40.63 95.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.009 0.433 . . . . 0.0 110.125 179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.409 HD23 ' HD3' ' A' ' 606' ' ' LYS . 22.0 mt -65.38 -49.08 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.968 -178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -60.8 -40.54 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.489 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -58.49 -39.89 81.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.676 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 602' ' ' HIS . 29.1 mtpp -57.43 -40.13 77.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.77 177.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.53 HD11 ' HZ2' ' A' ' 656' ' ' LYS . 7.5 mt -63.3 -51.04 67.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.445 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.54 -49.02 76.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.355 175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.92 -39.02 76.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.184 0.516 . . . . 0.0 110.526 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.6 94.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.475 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 46.7 mt -86.82 -36.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.076 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' B' ' 858' ' ' PRO . 0.4 OUTLIER -130.56 104.11 16.07 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 19.0 Cg_endo -56.83 -40.83 81.39 Favored 'Trans proline' 0 N--CA 1.476 0.463 0 C-N-CA 123.159 2.572 . . . . 0.0 113.553 -170.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.8 t -157.75 90.81 2.3 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 121.369 0.604 . . . . 0.0 111.258 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 137.88 36.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.711 2.274 . . . . 0.0 111.706 176.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -84.19 164.58 42.96 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.203 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.67 -36.04 40.0 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.513 2.142 . . . . 0.0 113.81 -176.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.97 -23.43 31.07 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.311 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -71.89 -37.33 70.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.553 0.692 . . . . 0.0 109.958 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.76 -26.52 65.27 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.883 -173.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -94.19 -0.37 55.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.135 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.15 148.69 23.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.184 0.516 . . . . 0.0 110.74 -174.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -62.99 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.48 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.432 ' HG2' ' CE1' ' B' ' 852' ' ' PHE . 0.3 OUTLIER -58.65 -45.17 89.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 17.0 tpt -59.77 -39.01 83.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.927 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.94 -38.67 67.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -57.76 -40.16 79.09 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.915 0.388 . . . . 0.0 110.088 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.64 -48.68 73.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.395 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.73 -38.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.106 178.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.538 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -60.4 -39.98 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.091 -176.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.56 -42.25 98.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.39 84.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -175.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.538 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 5.0 mtpt -64.5 -46.23 83.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 121.081 0.467 . . . . 0.0 110.357 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -58.89 -49.78 76.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.317 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.84 -46.55 87.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.269 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.596 ' HA ' ' OE1' ' A' ' 636' ' ' GLU . 0.7 OUTLIER -64.3 -39.46 93.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 -177.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.61 -37.22 74.84 Favored Glycine 0 CA--C 1.516 0.148 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.9 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.65 -37.58 79.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.186 -0.507 . . . . 0.0 112.058 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.53 ' HG3' HD21 ' A' ' 653' ' ' LEU . 22.4 mmt -55.63 -40.91 72.79 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -169.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -55.19 -39.55 69.73 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.66 -40.58 88.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.6 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.7 p -88.22 -36.64 16.65 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.871 0.322 . . . . 0.0 111.871 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -54.21 -60.99 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.17 -9.21 1.18 Allowed 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.306 176.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 39.9 m -155.35 157.92 37.88 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.01 -0.431 . . . . 0.0 109.978 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 649' ' ' TYR . 22.6 ttp180 -66.68 -46.42 75.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.646 0.26 . . . . 0.0 111.529 -177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.37 -40.07 96.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.76 0.314 . . . . 0.0 111.123 -177.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -64.27 -37.31 87.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.941 0.401 . . . . 0.0 110.003 173.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 17.9 t80 -57.36 -50.25 73.56 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.729 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 89.7 t80 -66.28 -41.04 90.4 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.963 0.411 . . . . 0.0 110.193 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -56.5 -47.27 79.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.241 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 50.8 mt -64.44 -38.77 92.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.3 178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 649' ' ' TYR . 86.7 mt -66.21 -39.92 89.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.706 -178.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.406 ' HB1' ' CE2' ' C' ' 134' ' ' TYR . . . -59.47 -47.19 86.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.043 177.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.572 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 34.4 tt0 -59.31 -40.26 85.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.442 177.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.53 ' HZ2' HD11 ' A' ' 607' ' ' LEU . 29.6 ttpt -64.03 -49.17 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.783 -178.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 44.4 pt -65.12 -37.77 81.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.843 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -62.69 -39.38 93.79 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.069 0.395 . . . . 0.0 110.302 175.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.585 ' HG2' HG22 ' B' ' 844' ' ' ILE . 0.2 OUTLIER -62.1 -41.1 97.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 177.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.511 HG12 HD11 ' B' ' 845' ' ' LEU . 36.6 mt -64.27 -48.66 84.52 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.416 0 CA-C-O 121.553 0.692 . . . . 0.0 109.532 176.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -53.41 -47.57 69.46 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.361 -1.291 . . . . 0.0 110.919 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 662' ' ' LYS . 65.7 mmtt -65.35 -39.28 92.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 176.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -59.46 -43.1 93.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 110.036 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 660' ' ' ILE . 63.9 mt -62.58 -41.32 98.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.403 174.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.07 -50.48 71.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.652 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -38.7 91.99 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.677 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 667' ' ' LYS . 0.0 OUTLIER -64.18 -43.61 94.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.945 -178.24 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -76.1 -26.54 56.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.197 0.522 . . . . 0.0 110.152 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -75.96 -17.52 59.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.331 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 16.2 m -104.46 2.8 31.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.457 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -39.18 118.92 0.85 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.346 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.164 176.288 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 121.102 0.477 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -82.8 72.08 9.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.853 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 108.86 119.9 4.32 Favored Glycine 0 N--CA 1.437 -1.242 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -171.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -81.07 47.09 0.97 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.926 0.393 . . . . 0.0 110.832 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . 0.585 HG22 ' HG2' ' A' ' 659' ' ' LYS . 30.8 pt -119.76 154.16 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.594 -175.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.511 HD11 HG12 ' A' ' 660' ' ' ILE . 3.8 mp -76.89 124.79 87.55 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.971 -164.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -80.51 178.48 7.01 Favored 'Trans proline' 0 N--CA 1.459 -0.536 0 C-N-CA 122.732 2.288 . . . . 0.0 112.277 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 23.3 t -57.14 -48.32 78.97 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -173.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.02 -49.65 68.42 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -170.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.18 -40.5 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.088 0.47 . . . . 0.0 110.47 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.414 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 4.5 mmt -64.08 -41.07 97.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.912 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -56.76 -39.72 74.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.208 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.432 ' CE1' ' HG2' ' A' ' 624' ' ' ARG . 27.3 t80 -62.58 -49.88 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.793 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 7.9 p -67.22 -38.06 80.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -65.13 -38.84 91.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.142 -0.349 . . . . 0.0 111.122 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -72.59 -45.21 60.25 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 120.742 0.306 . . . . 0.0 110.897 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 6.3 t30 -92.49 127.04 37.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' B' ' 858' ' ' PRO . 22.2 m -80.51 110.94 18.92 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.189 -176.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 612' ' ' PHE . 10.2 Cg_endo . . . . . 0 N--CA 1.45 -1.048 0 C-N-CA 123.413 2.742 . . . . 0.0 111.62 177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 120.424 0.154 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 4.2 m -65.43 -33.87 76.97 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.696 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.85 -48.74 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.235 0.541 . . . . 0.0 110.341 175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 67.0 p -93.38 36.86 1.05 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.278 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.47 -47.58 85.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.338 -178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 24.7 t -59.08 -48.58 81.09 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.069 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -60.9 -46.56 90.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.884 -0.144 . . . . 0.0 111.061 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -62.91 -47.21 84.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.612 0.244 . . . . 0.0 110.953 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.485 ' O ' HG12 ' C' ' 127' ' ' ILE . 14.4 tpp180 -55.92 -45.4 78.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.256 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' C' ' 125' ' ' ARG . 37.6 ttp180 -55.84 -39.84 71.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.87 -179.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -56.83 -42.6 79.92 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.712 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.657 HG12 HD22 ' C' ' 128' ' ' LEU . 0.6 OUTLIER -64.21 -40.17 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.209 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.657 HD22 HG12 ' C' ' 127' ' ' ILE . 2.7 mm? -64.57 -42.59 95.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 32.2 t -61.16 -31.18 70.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.466 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -129.14 54.34 1.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.491 0.662 . . . . 0.0 110.073 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 17.5 tpt180 -106.21 122.96 40.49 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.652 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.03 -35.46 65.47 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.731 2.287 . . . . 0.0 111.84 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.572 ' OH ' ' HA ' ' A' ' 655' ' ' GLU . 7.7 m-85 -64.31 -38.31 90.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.564 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -54.49 -39.97 68.05 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' C' ' 136' ' ' LYS . 0.0 OUTLIER -72.19 -67.17 0.56 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.87 174.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . 0.435 HG13 ' N ' ' C' ' 138' ' ' LEU . 47.0 pt -78.13 -47.78 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -170.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.586 HD12 ' CE2' ' A' ' 650' ' ' TYR . 6.1 tp -57.01 -48.65 77.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 117.688 0.222 . . . . 0.0 111.487 -173.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -65.06 -53.09 51.0 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.88 -47.09 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.162 0.506 . . . . 0.0 112.077 -177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.524 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 59.0 tp -62.02 -41.36 98.0 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.334 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.729 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 70.8 p -77.17 -3.0 37.32 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 68.4 m -78.81 15.88 0.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -175.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -177.58 78.11 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 111.653 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.521 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -107.5 65.49 0.23 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.884 166.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -72.12 154.59 57.27 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 122.151 1.901 . . . . 0.0 112.317 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . -91.29 33.55 4.68 Favored Glycine 0 N--CA 1.462 0.396 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 166.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 38.0 t -146.95 104.46 3.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 114.313 -0.944 . . . . 0.0 108.598 -172.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 C--O 1.25 1.096 0 C-N-CA 122.761 2.307 . . . . 0.0 112.6 -175.107 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.474 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 8.8 m -113.85 59.36 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.345 0 CA-C-O 122.188 0.994 . . . . 0.0 109.919 175.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -148.29 57.4 1.07 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.137 -1.392 . . . . 0.0 108.842 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -165.73 176.54 7.91 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.009 -175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 94.87 26.66 12.38 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.357 -176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 13.7 m95 -64.98 -3.59 3.67 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -177.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -72.13 -15.93 61.99 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 121.721 0.772 . . . . 0.0 108.918 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -70.71 -13.25 62.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.373 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -101.49 7.2 42.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.125 0.488 . . . . 0.0 110.429 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.417 HG13 HD23 ' A' ' 599' ' ' LEU . 40.5 t -107.91 131.66 57.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 82.4 p -90.07 172.31 8.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.416 -171.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.554 HE21 ' H ' ' A' ' 598' ' ' ASP . 1.3 pm0 -61.95 -37.8 86.09 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . 0.554 ' H ' HE21 ' A' ' 597' ' ' GLN . 25.6 t70 -58.52 -49.12 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.753 -174.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.417 HD23 HG13 ' A' ' 595' ' ' VAL . 29.6 tp -58.62 -43.12 89.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.589 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.523 ' O ' HG23 ' A' ' 604' ' ' VAL . 19.8 mtm180 -65.55 -41.13 93.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.151 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 44.2 m -55.56 -40.42 71.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 110.511 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -64.67 -40.74 95.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.501 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.424 ' HA ' HD23 ' A' ' 603' ' ' LEU . 14.9 mt -64.84 -48.97 72.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.367 -178.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.1 t -57.11 -44.64 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.044 0.45 . . . . 0.0 110.322 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 12.6 t-80 -64.25 -43.32 95.27 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.477 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -58.03 -40.45 80.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.944 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.3 OUTLIER -55.92 -49.76 72.57 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.4 t -63.65 -43.76 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.414 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.1 mm100 -56.83 -41.36 77.73 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.195 0.521 . . . . 0.0 111.341 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.85 91.71 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.906 -178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 607' ' ' LEU . 45.1 mt -79.5 -35.18 16.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.759 -175.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -132.16 100.93 15.24 Favored Pre-proline 0 N--CA 1.449 -0.495 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 24.4 Cg_endo -59.92 -34.5 95.22 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.988 2.459 . . . . 0.0 113.277 -175.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.2 t -171.58 94.17 0.42 Allowed Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.309 0.576 . . . . 0.0 110.43 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.19 128.07 4.8 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.076 1.85 . . . . 0.0 113.113 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.59 155.04 15.13 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.963 170.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.477 ' HA ' HD12 ' A' ' 620' ' ' LEU . 9.5 Cg_endo -53.83 -38.28 85.48 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.594 2.196 . . . . 0.0 111.48 176.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -58.28 -34.02 70.05 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.254 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 622' ' ' ASP . . . -74.14 -49.71 22.58 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.091 0.472 . . . . 0.0 110.38 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.4 mt -54.32 -30.86 52.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.29 3.82 52.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.246 0.546 . . . . 0.0 110.859 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 619' ' ' ALA . 18.7 t0 -96.2 141.18 29.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.66 -174.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -57.95 -38.36 75.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.309 -177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.458 ' HD2' ' CE1' ' B' ' 852' ' ' PHE . 60.7 mtm180 -59.06 -44.51 91.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.109 -179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 629' ' ' VAL . 16.3 tpt -65.13 -42.53 93.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 176.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.86 -45.33 78.5 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -61.96 -38.65 89.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.0 tp -64.74 -49.91 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.064 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 625' ' ' MET . 3.4 t -57.27 -38.48 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.547 ' HA ' ' HD3' ' A' ' 633' ' ' LYS . . . -62.2 -39.02 91.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.431 0.634 . . . . 0.0 110.286 -176.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.565 ' CE1' HG21 ' A' ' 635' ' ' VAL . 35.0 t80 -60.72 -44.37 96.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.949 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.03 -45.29 89.52 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.863 -174.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.547 ' HD3' ' HA ' ' A' ' 630' ' ' ALA . 6.1 mtpt -64.85 -49.35 70.92 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -60.09 -46.35 89.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.344 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 631' ' ' TYR . 67.6 t -63.6 -39.42 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.341 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.03 -39.53 66.26 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.04 96.96 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.209 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -66.25 -39.54 89.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.982 0.42 . . . . 0.0 110.731 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.4 mmt -64.26 -51.08 65.33 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.86 -174.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -55.66 -46.6 77.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.877 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -69.01 -49.5 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.911 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 39.8 m -75.73 -36.52 59.9 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -173.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -60.94 -59.31 5.58 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.56 -17.01 0.5 Allowed 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.681 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 11.8 m -132.83 156.06 47.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -175.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -66.37 -50.64 62.82 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.558 -177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -61.02 -46.65 89.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.856 -174.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.49 -37.08 86.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.213 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.65 -49.57 77.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.142 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.577 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 76.4 t80 -65.84 -43.49 88.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.989 0.423 . . . . 0.0 109.963 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -57.81 -48.29 80.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.792 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 45.5 mt -60.8 -51.26 70.08 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.051 0.219 . . . . 0.0 111.27 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 65.4 mt -66.96 -40.66 87.53 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.99 97.16 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.27 0.557 . . . . 0.0 110.202 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.593 ' HA ' ' OH ' ' C' ' 134' ' ' TYR . 40.9 tt0 -64.46 -40.82 96.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.293 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -64.7 -50.59 66.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.859 -178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 29.3 pt -65.74 -40.64 88.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.363 -173.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.448 ' HB3' ' OH ' ' C' ' 134' ' ' TYR . 74.7 t80 -66.08 -45.2 82.13 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.27 0.486 . . . . 0.0 110.969 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -55.05 -51.09 67.42 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.769 HG21 HD12 ' B' ' 845' ' ' LEU . 18.5 mt -68.92 -42.91 82.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.007 0.432 . . . . 0.0 111.07 -178.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -54.99 -44.1 74.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.789 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -64.78 -39.78 94.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.145 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 17.3 tp10 -57.99 -40.86 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.574 178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 75.8 mt -59.08 -42.41 90.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.123 0.487 . . . . 0.0 110.451 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -65.52 -46.74 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.563 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.0 OUTLIER -61.97 -39.6 92.72 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.956 178.536 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -56.71 -45.78 81.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.005 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -77.38 -29.44 53.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.305 0.574 . . . . 0.0 110.34 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -71.42 -41.96 68.87 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.201 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 21.2 t -83.14 18.64 1.64 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 670' ' ' SER . 27.5 tpt180 78.04 128.49 0.05 OUTLIER 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.951 177.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--O 1.251 1.18 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.276 178.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.358 0.599 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -137.55 20.51 2.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.709 176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 92.79 112.52 2.07 Favored Glycine 0 N--CA 1.44 -1.07 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.082 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -107.83 32.85 4.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 38.0 pt -132.4 157.06 42.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 113.67 -1.605 . . . . 0.0 108.02 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 660' ' ' ILE . 3.3 mt -74.56 115.01 39.62 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.628 0.251 . . . . 0.0 110.356 -173.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.462 ' O ' ' HG2' ' B' ' 850' ' ' MET . 24.7 Cg_exo -64.16 169.43 10.7 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.113 2.542 . . . . 0.0 113.412 -175.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 14.4 m -54.33 -40.53 68.11 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.23 0.331 . . . . 0.0 111.456 -174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -54.9 -49.62 70.76 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.468 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.2 -39.73 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.047 0.451 . . . . 0.0 110.493 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.462 ' HG2' ' O ' ' B' ' 846' ' ' PRO . 10.4 mmt -56.46 -38.11 71.22 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.129 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -54.78 -39.24 68.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.355 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.458 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 12.0 m-30 -58.87 -51.72 68.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.287 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.57 -44.0 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.608 0.242 . . . . 0.0 111.57 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.46 -40.88 96.56 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -95.2 17.52 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.337 0.589 . . . . 0.0 110.773 -173.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -121.99 151.98 40.22 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 55.8 m -147.29 118.69 4.61 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.296 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.247 0.967 0 C-N-CA 123.011 2.474 . . . . 0.0 111.998 177.741 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 16.5 t70 . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 120.546 0.213 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.0 m -63.43 -32.22 73.59 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.95 0.405 . . . . 0.0 110.883 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 80.1 t -74.0 -51.88 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.466 178.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 40.2 p -73.21 -7.33 50.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.882 0.372 . . . . 0.0 111.234 -179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -55.66 -42.81 75.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.974 173.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 50.7 m -63.14 -44.68 94.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.649 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.21 -47.52 76.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -63.92 -39.82 95.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.042 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.611 ' O ' HG12 ' C' ' 127' ' ' ILE . 24.5 ttm180 -59.29 -45.69 90.58 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.956 175.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -58.04 -38.74 76.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.964 -175.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -56.38 -40.31 74.37 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.901 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.611 HG12 ' O ' ' C' ' 124' ' ' ARG . 2.0 pt -65.55 -38.94 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.486 HD22 HG12 ' C' ' 127' ' ' ILE . 1.5 mm? -65.46 -41.98 92.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.92 -176.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 28.1 t -63.28 -14.54 50.73 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.378 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.86 48.03 1.52 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.519 ' NE ' ' HA ' ' C' ' 131' ' ' ARG . 0.0 OUTLIER -114.53 105.21 53.92 Favored Pre-proline 0 C--N 1.323 -0.563 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.443 -178.646 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' C' ' 131' ' ' ARG . 52.7 Cg_endo -69.25 -22.19 34.77 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.482 2.121 . . . . 0.0 112.1 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . 0.429 ' O ' ' HB3' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.625 ' O ' ' HB3' ' C' ' 138' ' ' LEU . 49.3 m-85 -63.79 -39.76 95.02 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 120.673 0.273 . . . . 0.0 110.38 173.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -55.01 -39.19 68.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 173.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' C' ' 133' ' ' SEP . 35.7 ttpt -68.7 -65.7 0.67 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.968 174.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . 0.436 HG13 ' N ' ' C' ' 138' ' ' LEU . 41.5 pt -85.71 -46.99 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.625 ' HB3' ' O ' ' C' ' 134' ' ' TYR . 1.8 tp -58.36 -42.03 86.04 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.998 0.428 . . . . 0.0 111.091 -176.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -66.32 -50.96 61.85 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 121.87 -0.519 . . . . 0.0 111.658 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -67.28 -50.23 61.19 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -175.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.544 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 53.1 tp -62.55 -39.75 94.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.874 -172.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.56 -21.3 64.55 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -174.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 89.1 p -58.56 -33.82 70.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.137 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 16.6 t70 169.17 92.63 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -173.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -37.1 109.03 0.43 Allowed Pre-proline 0 N--CA 1.475 0.814 0 O-C-N 123.717 0.636 . . . . 0.0 110.73 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -49.41 127.95 19.28 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.787 2.991 . . . . 0.0 114.478 -166.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 163.05 -94.16 0.12 Allowed Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 114.617 -1.174 . . . . 0.0 112.22 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 37.6 t 67.45 85.55 0.15 Allowed Pre-proline 0 CA--C 1.534 0.351 0 CA-C-O 121.726 0.774 . . . . 0.0 109.997 -176.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo . . . . . 0 C--O 1.249 1.027 0 C-N-CA 123.35 2.7 . . . . 0.0 111.555 178.651 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 5.4 m -98.9 106.09 18.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.256 0.551 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -142.09 107.1 4.93 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.176 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -163.47 96.11 0.85 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.21 -0.904 . . . . 0.0 108.721 173.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -159.82 48.03 0.4 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.914 -173.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -68.73 -38.87 80.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.209 0.528 . . . . 0.0 109.616 178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -75.56 5.51 5.89 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -54.25 -13.42 0.86 Allowed 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -84.23 -5.49 59.26 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.208 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.5 HG13 HD23 ' A' ' 599' ' ' LEU . 34.6 t -86.3 134.89 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.4 p -96.79 167.97 10.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 120.675 0.274 . . . . 0.0 110.723 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -61.02 -38.31 85.63 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -57.86 -46.02 85.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.679 -176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.5 HD23 HG13 ' A' ' 595' ' ' VAL . 44.8 tp -55.0 -46.71 75.18 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.974 0.416 . . . . 0.0 110.422 178.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 604' ' ' VAL . 48.4 mtm105 -62.46 -43.49 98.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.251 178.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 30.8 m -58.38 -40.09 81.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.188 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -64.05 -40.25 95.87 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.536 HD22 HD13 ' A' ' 653' ' ' LEU . 17.3 mt -64.35 -42.05 96.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.343 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.5 t -62.63 -42.88 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.885 0.374 . . . . 0.0 110.392 176.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -62.15 -40.97 97.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.53 -38.89 91.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.65 175.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -47.68 84.68 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.897 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.14 -46.11 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.279 175.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.665 HE21 ' HA ' ' A' ' 609' ' ' GLN . 0.0 OUTLIER -55.05 -37.69 67.05 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.026 0.441 . . . . 0.0 110.497 179.675 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.17 -38.71 77.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.599 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 45.4 mt -86.99 -38.33 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.217 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.441 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -127.68 108.18 20.63 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.181 -176.004 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.4 Cg_endo -62.8 -41.56 29.67 Favored 'Trans proline' 0 N--CA 1.473 0.266 0 C-N-CA 122.768 2.312 . . . . 0.0 112.585 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.1 t -160.65 107.25 1.32 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.657 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.81 143.23 23.34 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.806 2.337 . . . . 0.0 111.991 176.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -83.25 162.55 53.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.435 177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.421 ' HA ' HD12 ' A' ' 620' ' ' LEU . 48.5 Cg_exo -53.5 -39.15 83.29 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.234 1.956 . . . . 0.0 113.044 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -75.36 -23.24 57.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.869 0.366 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -42.39 63.28 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.044 0.449 . . . . 0.0 110.432 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.9 mt -65.88 -28.99 69.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.925 -173.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.477 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.1 OUTLIER -91.38 0.47 57.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.905 0.384 . . . . 0.0 111.259 -179.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 626' ' ' GLU . 11.7 t70 -96.56 148.61 22.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.514 -172.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.13 -36.85 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.427 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -54.82 -47.03 74.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.898 0.38 . . . . 0.0 110.173 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.433 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.8 tpt -65.41 -41.85 93.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.746 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 622' ' ' ASP . 40.5 mt-10 -58.96 -41.04 86.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.61 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -63.69 -39.29 93.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.155 176.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 40.5 tp -59.21 -46.9 87.22 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.281 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 625' ' ' MET . 3.2 t -64.08 -38.39 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.512 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 634' ' ' LYS . . . -65.02 -40.74 95.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.922 0.391 . . . . 0.0 110.239 -178.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -60.42 -45.88 92.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.105 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.78 94.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.229 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.77 -46.7 84.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.105 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 630' ' ' ALA . 34.8 mmtp -63.19 -46.88 85.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.975 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.28 -43.11 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.522 ' HA ' ' CE ' ' A' ' 639' ' ' MET . 1.5 tm-20 -55.55 -39.83 71.12 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.904 0.383 . . . . 0.0 110.29 178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -62.84 -44.68 97.09 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.774 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.9 -42.89 84.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.61 0.243 . . . . 0.0 110.82 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.522 ' CE ' ' HA ' ' A' ' 636' ' ' GLU . 67.9 mtm -64.27 -41.47 96.9 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.159 -175.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -58.28 -42.98 87.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.184 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -68.3 -40.75 81.66 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 19.5 p -89.05 -21.75 23.29 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -172.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -53.53 -63.31 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 10.4 t30 74.3 -29.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.035 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.3 m -132.53 158.45 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.973 -0.455 . . . . 0.0 109.931 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -65.01 -49.65 69.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.096 0.474 . . . . 0.0 110.75 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -64.16 -40.81 96.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.642 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.55 -37.71 79.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.338 178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.533 ' O ' ' HG ' ' A' ' 653' ' ' LEU . 1.0 OUTLIER -59.27 -50.09 75.35 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.387 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.712 ' HE2' HD12 ' C' ' 138' ' ' LEU . 67.8 t80 -65.28 -39.46 92.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.189 177.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -56.25 -45.24 80.12 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 44.4 mt -64.7 -39.07 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.302 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.536 HD13 HD22 ' A' ' 603' ' ' LEU . 96.5 mt -62.83 -40.67 98.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.419 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' C' ' 134' ' ' TYR . . . -62.96 -49.35 75.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.625 -178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.78 -38.63 91.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 656' ' ' LYS . 5.3 tmtm? -64.02 -48.23 77.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 34.0 pt -65.35 -40.07 87.3 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.979 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -64.8 -38.1 89.85 Favored 'General case' 0 C--N 1.34 0.179 0 O-C-N 121.955 -0.466 . . . . 0.0 111.079 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -56.53 -44.39 80.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.775 HG12 HD12 ' B' ' 845' ' ' LEU . 7.6 mt -63.46 -48.47 86.93 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-O 121.395 0.617 . . . . 0.0 109.553 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -54.2 -42.51 69.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.597 -1.183 . . . . 0.0 111.045 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -64.36 -41.63 96.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 32.1 tp10 -65.01 -42.76 94.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.996 0.426 . . . . 0.0 110.447 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 83.6 mt -58.5 -42.17 87.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.177 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.0 tp10 -64.44 -43.01 95.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.252 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.1 OUTLIER -62.87 -39.9 95.87 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.177 -179.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -61.47 -40.09 93.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.867 0.365 . . . . 0.0 110.494 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.548 ' O ' ' HG3' ' A' ' 671' ' ' ARG . 44.4 ttm180 -67.63 -34.34 76.79 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.718 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 77.6 mtp180 -69.9 -13.8 62.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.341 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 8.0 t -78.3 15.95 0.87 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.2 -177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 668' ' ' ARG . 21.6 mtm180 -65.5 173.36 2.73 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 173.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.755 -179.721 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 N--CA 1.464 0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . 53.07 25.09 3.88 Favored 'General case' 0 C--N 1.335 -0.054 0 CA-C-N 115.078 -0.964 . . . . 0.0 112.541 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 55.36 73.41 0.43 Allowed Glycine 0 CA--C 1.503 -0.704 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.215 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' B' ' 843' ' ' ASN . 0.2 OUTLIER -78.38 -73.9 0.3 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -175.176 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 9.2 mt -94.68 147.89 5.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.137 0.494 . . . . 0.0 111.009 -172.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.775 HD12 HG12 ' A' ' 660' ' ' ILE . 0.0 OUTLIER -103.14 165.44 13.6 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.045 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -72.17 139.78 33.01 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.525 2.15 . . . . 0.0 111.453 173.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 17.0 p -54.81 -38.25 67.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.793 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -54.59 -43.9 72.55 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.259 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.9 mm -64.66 -40.92 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.292 0.568 . . . . 0.0 109.768 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 31.4 mmt -64.86 -40.29 94.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.52 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -58.3 -39.27 78.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.381 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -64.12 -48.85 74.49 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.262 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.72 -38.58 82.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.121 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.96 -38.62 91.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.633 0.254 . . . . 0.0 110.768 174.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.25 -39.64 74.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.959 -174.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -101.65 128.13 48.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.807 0.337 . . . . 0.0 110.733 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 29.8 m -104.42 120.18 51.44 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.044 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.251 1.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.406 178.796 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.1 m -63.84 -30.79 71.84 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.927 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 89.0 t -67.9 -52.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.885 0.374 . . . . 0.0 110.179 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 65.9 p -73.55 3.7 5.86 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.74 -41.5 74.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.684 0.278 . . . . 0.0 110.448 177.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 17.4 m -57.72 -47.78 81.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.555 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -65.41 -47.43 76.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.565 0.698 . . . . 0.0 110.212 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -62.82 -40.89 98.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.872 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.576 ' O ' HG12 ' C' ' 127' ' ' ILE . 3.1 tpp180 -62.3 -45.8 91.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.881 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -62.03 -39.93 93.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.969 -175.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.01 -40.41 73.34 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.454 -175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.694 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 3.6 pt -63.45 -37.91 80.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.587 HD12 ' CD1' ' C' ' 134' ' ' TYR . 1.6 mm? -68.49 -42.54 78.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.137 -175.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.7 m -55.44 -40.22 71.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.166 -0.924 . . . . 0.0 112.173 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -123.51 49.83 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.683 0.754 . . . . 0.0 109.964 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.694 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.0 OUTLIER -113.13 101.1 52.98 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.906 177.466 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.478 ' O ' ' HG3' ' C' ' 136' ' ' LYS . 58.0 Cg_exo -53.91 -41.22 76.69 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.173 2.582 . . . . 0.0 112.663 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.607 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 91.2 t80 -62.5 -44.62 95.92 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.624 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -57.9 -42.68 85.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.749 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' C' ' 132' ' ' PRO . 29.1 mtpp -61.23 -55.21 34.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.23 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 18.7 pt -66.76 -32.25 57.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.712 HD12 ' HE2' ' A' ' 650' ' ' TYR . 11.3 tp -62.91 -42.51 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.233 0.54 . . . . 0.0 111.049 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -66.7 -52.51 43.78 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.62 -51.36 51.12 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -173.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.665 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 33.8 tp -60.03 -40.13 88.24 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.901 -173.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 22.3 p -68.44 -15.1 63.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.989 0.423 . . . . 0.0 111.745 -177.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 13.6 m -105.29 44.69 1.01 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.089 -173.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 33.4 t70 176.38 73.25 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 122.952 0.501 . . . . 0.0 110.394 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -139.17 93.11 10.38 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.5 126.15 15.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 121.848 1.699 . . . . 0.0 112.568 -177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.434 ' HA3' HD13 ' A' ' 599' ' ' LEU . . . -140.95 53.61 0.66 Allowed Glycine 0 C--O 1.235 0.185 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.308 170.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 12.5 t -151.9 113.52 2.94 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 122.895 2.396 . . . . 0.0 112.112 177.214 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.428 0 CA-C-O 120.124 -0.264 . . . . 0.0 113.1 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 6.3 m -84.62 104.04 12.43 Favored 'Isoleucine or valine' 0 C--O 1.231 0.095 0 CA-C-N 117.589 0.695 . . . . 0.0 110.763 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 588' ' ' ARG . 10.8 mmm180 -122.34 36.92 4.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.477 0.656 . . . . 0.0 110.06 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -137.19 99.46 3.99 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . 0.544 ' HA2' ' OE1' ' A' ' 593' ' ' GLU . . . -52.5 -41.64 56.33 Favored Glycine 0 N--CA 1.453 -0.198 0 O-C-N 124.05 0.844 . . . . 0.0 112.892 -175.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.404 ' HB2' ' O ' ' A' ' 644' ' ' ASN . 0.7 OUTLIER -50.39 -46.15 55.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 122.774 0.43 . . . . 0.0 111.871 176.33 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.508 ' NE2' ' HA ' ' A' ' 644' ' ' ASN . 64.3 m-70 -78.4 -3.01 41.09 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -175.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.544 ' OE1' ' HA2' ' A' ' 590' ' ' GLY . 45.8 mt-10 -77.37 -20.45 54.74 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.939 -171.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -89.57 -2.12 58.24 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.516 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 78.8 t -119.84 122.72 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.932 -0.48 . . . . 0.0 110.176 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 69.0 p -103.14 167.44 9.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.873 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -59.86 -39.53 85.52 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.79 -49.93 70.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.638 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.54 HD12 ' O ' ' C' ' 146' ' ' PRO . 32.9 tp -55.56 -46.08 77.22 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.034 0.445 . . . . 0.0 110.317 178.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.588 ' O ' HG23 ' A' ' 604' ' ' VAL . 43.7 ttp180 -58.84 -46.76 86.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.9 m -57.61 -38.55 75.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.457 -177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -61.91 -42.9 99.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.748 0.308 . . . . 0.0 110.306 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.12 -41.31 95.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.281 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.7 t -62.74 -40.27 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.864 177.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -59.48 -40.16 86.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 0.0 110.276 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -61.4 -37.17 82.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.16 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 611' ' ' ILE . 0.2 OUTLIER -55.11 -44.45 74.97 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.421 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . 0.474 HG21 HG13 ' A' ' 629' ' ' VAL . 52.8 t -64.83 -46.14 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.894 0.378 . . . . 0.0 111.429 176.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -55.72 -38.29 69.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 -179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.04 86.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.761 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 607' ' ' LEU . 31.6 mt -82.87 -36.42 13.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.437 -175.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.28 99.24 6.51 Favored Pre-proline 0 N--CA 1.451 -0.379 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -175.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.57 -41.42 48.12 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 112.96 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 3.5 t -157.81 104.59 1.77 Allowed Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.155 0.502 . . . . 0.0 111.689 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.432 ' HB2' ' HG ' ' A' ' 620' ' ' LEU . 1.7 Cg_endo -83.9 145.78 11.42 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.855 2.37 . . . . 0.0 111.023 171.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -81.46 166.4 38.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 119.279 -0.391 . . . . 0.0 110.135 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.525 ' HA ' HD12 ' A' ' 620' ' ' LEU . 75.8 Cg_exo -47.74 -34.79 22.13 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.717 2.278 . . . . 0.0 113.903 -177.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.94 -27.52 28.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.934 -0.479 . . . . 0.0 110.837 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.97 -39.96 65.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.548 . . . . 0.0 110.14 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.4 mt -59.24 -37.36 77.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.064 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -94.99 16.8 15.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -175.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -95.63 154.12 17.37 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -55.35 -38.72 69.16 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.233 0.333 . . . . 0.0 110.919 178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.499 ' HG2' ' CG ' ' B' ' 852' ' ' PHE . 9.9 tpp180 -58.4 -40.37 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.003 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.9 tpt -66.02 -44.83 83.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.589 -179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -63.56 -43.93 95.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.189 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . 0.474 ' ND2' HD11 ' B' ' 849' ' ' ILE . 37.7 t30 -61.0 -39.51 89.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.876 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 41.9 tp -60.25 -49.83 76.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 625' ' ' MET . 2.5 t -65.63 -40.16 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.549 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.68 91.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.491 0.662 . . . . 0.0 110.099 -176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -58.69 -39.87 81.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.406 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.92 93.4 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.448 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.569 ' HD2' ' H ' ' A' ' 633' ' ' LYS . 0.0 OUTLIER -65.44 -40.91 93.83 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 120.842 0.353 . . . . 0.0 110.437 178.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.81 -49.67 76.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.547 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' B' ' 843' ' ' ASN . 70.2 t -57.51 -46.45 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 173.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -55.4 -40.03 70.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.737 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 641' ' ' GLU . . . -57.52 -49.16 75.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.165 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.25 -39.82 86.2 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 122.157 0.979 . . . . 0.0 109.554 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 11.3 ttp -65.98 -50.55 63.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.511 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -58.73 -39.46 80.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 637' ' ' GLY . 46.7 mt-10 -66.34 -40.03 89.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.044 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.9 m -83.25 -25.59 31.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.628 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -61.73 -58.97 5.93 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.527 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . 0.508 ' HA ' ' NE2' ' A' ' 592' ' ' HIS . 61.6 t30 69.27 -18.68 0.19 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.71 178.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 49.6 m -148.29 167.48 25.06 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.834 -0.541 . . . . 0.0 110.825 -175.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -64.83 -50.27 67.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.747 0.308 . . . . 0.0 111.777 -175.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.98 -46.51 90.47 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.627 -175.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.5 -36.39 84.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.182 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.2 t80 -58.13 -51.03 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.076 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 1.074 ' HE1' HD12 ' C' ' 138' ' ' LEU . 57.9 t80 -65.2 -42.07 93.92 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 176.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 11.4 t-160 -58.19 -46.59 85.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.055 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.09 -39.84 93.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.449 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.614 ' O ' HG12 ' A' ' 657' ' ' ILE . 41.7 mt -59.69 -47.21 86.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.292 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.21 97.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.405 -175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.722 ' OE1' HD11 ' C' ' 128' ' ' LEU . 50.6 mm-40 -64.5 -49.42 71.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.041 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.85 -48.0 70.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.31 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.614 HG12 ' O ' ' A' ' 653' ' ' LEU . 39.7 pt -64.47 -40.68 89.92 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.189 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -65.64 -41.07 93.04 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 117.966 0.348 . . . . 0.0 110.669 177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -56.02 -51.13 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.746 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.793 HD13 HD12 ' B' ' 845' ' ' LEU . 20.6 mt -69.55 -43.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.233 0.539 . . . . 0.0 110.361 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -53.88 -45.35 71.01 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.789 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -62.67 -40.93 98.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.379 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.86 -43.89 97.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.334 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.478 HD21 ' SD ' ' B' ' 850' ' ' MET . 81.8 mt -63.02 -39.92 96.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.663 176.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 15.1 tp10 -64.13 -50.74 67.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.208 -177.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -39.25 93.98 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.045 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -64.31 -40.2 95.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.772 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -78.07 -30.92 49.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 21.8 mmm180 -73.56 -31.31 63.56 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.456 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 20.7 t -100.8 2.02 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -37.01 106.95 0.05 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.204 1.002 . . . . 0.0 112.603 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.063 178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 . . . . . 0 C--O 1.236 0.371 0 CA-C-O 120.909 0.385 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -85.8 -12.58 50.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 96.15 132.39 7.14 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.846 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.455 ' HA ' HG22 ' A' ' 635' ' ' VAL . 0.9 OUTLIER -87.92 8.84 24.33 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 122.63 -0.335 . . . . 0.0 111.642 -179.631 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . 0.505 ' HA ' HD11 ' A' ' 660' ' ' ILE . 33.0 pt -120.46 152.32 23.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.793 HD12 HD13 ' A' ' 660' ' ' ILE . 3.5 mt -77.13 131.4 72.72 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 121.018 0.437 . . . . 0.0 111.731 -168.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.15 168.14 22.28 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.11 2.54 . . . . 0.0 113.087 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 16.6 m -55.04 -43.55 73.86 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -54.11 -49.83 68.25 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . 0.474 HD11 ' ND2' ' A' ' 627' ' ' ASN . 28.8 mm -66.47 -40.77 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.059 0.457 . . . . 0.0 110.8 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.478 ' SD ' HD21 ' A' ' 664' ' ' LEU . 6.1 mmt -64.97 -40.98 95.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.141 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.88 -38.8 76.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.499 ' CG ' ' HG2' ' A' ' 624' ' ' ARG . 57.9 t80 -63.2 -43.2 98.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.627 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.471 HG12 ' O ' ' B' ' 850' ' ' MET . 10.2 p -65.9 -38.57 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.808 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.22 -38.46 86.7 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.732 0.301 . . . . 0.0 110.553 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -63.83 -30.69 71.75 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.91 0.386 . . . . 0.0 110.823 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -93.18 148.47 22.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.942 0.401 . . . . 0.0 110.206 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 32.4 m -150.99 89.57 4.29 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-O 120.896 0.379 . . . . 0.0 111.171 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo . . . . . 0 C--O 1.248 0.998 0 C-N-CA 122.967 2.445 . . . . 0.0 111.486 177.39 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 C--O 1.227 -0.13 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.6 m -61.7 -30.22 70.61 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.269 175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 85.3 t -70.43 -49.29 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.317 0.579 . . . . 0.0 110.17 177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . 0.65 ' HA ' ' NE2' ' C' ' 122' ' ' GLN . 58.8 p -80.81 5.09 16.96 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.469 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -57.3 -41.43 79.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.477 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 34.9 t -61.23 -45.91 92.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.655 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . 0.65 ' NE2' ' HA ' ' C' ' 119' ' ' THR . 1.0 OUTLIER -62.24 -39.97 94.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 0.0 110.484 176.456 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 44.4 tptt -60.93 -45.59 94.07 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.953 176.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.662 ' O ' HG12 ' C' ' 127' ' ' ILE . 0.3 OUTLIER -61.73 -41.98 98.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.374 176.47 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -59.11 -40.54 85.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.907 0.384 . . . . 0.0 110.492 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -56.08 -39.23 71.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.974 -177.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.662 HG12 ' O ' ' C' ' 124' ' ' ARG . 1.6 pt -62.76 -38.32 81.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.819 0.342 . . . . 0.0 110.272 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.722 HD11 ' OE1' ' A' ' 655' ' ' GLU . 1.5 mm? -64.65 -41.36 96.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.201 0.524 . . . . 0.0 110.112 -174.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.3 m -56.38 -23.56 38.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.421 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -156.83 73.63 0.77 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 111.54 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.598 ' HB3' ' HB3' ' C' ' 134' ' ' TYR . 14.3 mtp180 -114.68 105.7 53.09 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.601 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 38.0 Cg_exo -62.02 -57.0 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.189 2.593 . . . . 0.0 113.153 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . 0.496 ' O3P' ' HB2' ' C' ' 132' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 34.0 t80 -57.68 -47.73 81.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.626 174.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -61.99 -41.26 97.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.416 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -58.6 -56.16 25.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 32.4 pt -70.78 -30.71 43.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.052 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 1.074 HD12 ' HE1' ' A' ' 650' ' ' TYR . 6.1 tp -56.42 -45.64 80.6 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.304 0.378 . . . . 0.0 111.087 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -65.98 -52.56 48.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -68.88 -53.58 20.37 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -174.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.598 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 22.8 tp -56.93 -38.49 72.97 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.573 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 57.7 p -70.91 -16.97 62.71 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.422 0.629 . . . . 0.0 110.765 -177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 7.7 m -107.7 44.71 1.06 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.893 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -176.03 53.31 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.954 -174.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -116.81 95.0 45.59 Favored Pre-proline 0 C--O 1.235 0.297 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 171.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . 0.54 ' O ' HD12 ' A' ' 599' ' ' LEU . 31.9 Cg_exo -57.7 155.1 33.52 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.604 2.203 . . . . 0.0 111.311 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 170.27 80.54 0.05 OUTLIER Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.208 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.53 ' H ' ' HD2' ' C' ' 149' ' ' PRO . 6.1 t -148.01 -61.17 0.02 OUTLIER Pre-proline 0 N--CA 1.469 0.525 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.111 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . 0.53 ' HD2' ' H ' ' C' ' 148' ' ' VAL . 42.9 Cg_endo . . . . . 0 C--O 1.25 1.098 0 C-N-CA 121.695 1.596 . . . . 0.0 112.487 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 CA-C-O 119.926 -0.375 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 588' ' ' ARG . 21.7 t -58.69 91.92 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.129 0.49 . . . . 0.0 110.841 175.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 587' ' ' VAL . 17.9 mmm180 -170.6 -45.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.715 -1.129 . . . . 0.0 108.325 -175.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -155.33 77.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.691 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -94.24 1.72 67.55 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.912 -173.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 19.2 m95 -50.34 -56.46 11.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.139 0.495 . . . . 0.0 110.708 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -81.92 3.48 26.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.771 -177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -83.77 -34.66 24.74 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.515 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -88.73 -11.09 46.08 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 110.454 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 42.6 t -110.48 120.75 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 74.5 p -102.64 155.06 18.55 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.205 -173.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.493 HE21 ' H ' ' A' ' 598' ' ' ASP . 1.2 pm0 -58.17 -37.39 74.61 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.904 0.383 . . . . 0.0 110.074 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . 0.593 ' OD2' ' HA2' ' C' ' 147' ' ' GLY . 20.4 t70 -57.25 -48.96 77.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.09 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 65.8 tp -57.6 -41.94 82.22 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.413 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 604' ' ' VAL . 52.0 ttt180 -64.15 -48.53 75.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.484 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.3 m -56.97 -40.63 76.86 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.975 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -61.88 -39.81 93.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.507 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.59 -45.0 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.48 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -60.28 -40.95 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.701 178.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 11.7 m-70 -59.61 -42.47 92.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.248 176.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -63.09 -38.3 90.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.006 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -46.78 76.96 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.17 -48.22 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.498 174.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 14.6 mm100 -57.7 -39.46 77.22 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.033 0.444 . . . . 0.0 111.274 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -61.11 -38.61 86.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.737 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 56.5 mt -82.82 -36.6 13.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.082 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.461 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -127.3 99.16 28.18 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.477 -176.658 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 19.7 Cg_endo -56.02 -38.61 94.48 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.934 2.423 . . . . 0.0 112.818 -174.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . 0.478 ' O ' ' HG3' ' B' ' 858' ' ' PRO . 4.5 t -161.19 95.57 1.38 Allowed Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.369 0.604 . . . . 0.0 111.086 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -62.56 137.05 62.03 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.567 2.178 . . . . 0.0 111.64 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . 0.506 ' HB2' ' HD2' ' A' ' 617' ' ' PRO . 4.3 p30 -84.92 162.33 50.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.878 -178.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 616' ' ' ASP . 3.6 Cg_endo -45.95 -44.91 18.22 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.0 2.467 . . . . 0.0 113.455 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.33 56.92 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.51 -42.76 61.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.218 0.532 . . . . 0.0 109.943 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.5 mt -62.77 -28.47 70.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.675 -176.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 621' ' ' LYS . 0.0 OUTLIER -93.5 3.9 54.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.171 -179.726 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -96.8 137.08 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.395 0.617 . . . . 0.0 111.172 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 623' ' ' ARG . 3.9 ptp180 -63.54 -37.21 86.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.821 -1.081 . . . . 0.0 111.831 -178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -63.91 -40.28 96.12 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -65.96 -40.15 91.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.133 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -54.17 -39.92 67.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -55.7 -38.59 69.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.332 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.68 -44.96 94.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.792 0.33 . . . . 0.0 110.314 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.3 -38.55 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.219 177.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.3 93.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.224 0.535 . . . . 0.0 110.028 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -65.4 -40.51 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.22 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.54 94.4 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-O 121.194 0.521 . . . . 0.0 109.849 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.69 -47.55 83.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.006 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.1 -45.28 95.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.303 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.77 -44.24 89.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -55.81 -39.27 71.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.07 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -56.45 -43.61 90.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.276 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -64.18 -39.59 94.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.003 0.43 . . . . 0.0 110.94 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 23.9 mmt -65.09 -50.4 66.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.402 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -61.09 -44.65 97.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.872 -176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.73 -40.41 88.36 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 8.2 t -87.2 -30.97 20.59 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.559 -171.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -63.5 -69.21 0.29 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 8.3 t30 60.93 6.69 1.27 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.036 0.534 . . . . 0.0 112.076 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 13.2 m -147.09 151.04 36.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 646' ' ' ARG . 46.8 mtm105 -65.01 -48.27 74.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.78 0.324 . . . . 0.0 111.509 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -59.68 -49.09 79.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.447 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -64.89 -36.74 85.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.739 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.446 ' OH ' ' HG3' ' A' ' 600' ' ' ARG . 1.1 t80 -56.1 -51.24 68.61 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.955 -177.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.664 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 88.0 t80 -66.42 -42.59 87.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.053 0.454 . . . . 0.0 110.593 175.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -59.02 -42.66 90.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.593 -175.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.67 -43.62 92.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.678 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.438 ' O ' HG12 ' A' ' 657' ' ' ILE . 55.2 mt -65.19 -41.22 94.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.58 81.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.979 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -65.17 -41.01 95.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.787 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -65.33 -48.47 72.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.362 -173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.438 HG12 ' O ' ' A' ' 653' ' ' LEU . 34.1 pt -64.38 -38.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.144 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -64.18 -44.85 90.75 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 120.613 0.244 . . . . 0.0 111.182 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 659' ' ' LYS . 1.3 tmtp? -55.33 -50.53 69.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -178.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.797 HD13 HD12 ' B' ' 845' ' ' LEU . 21.1 mt -69.12 -45.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.979 0.418 . . . . 0.0 110.396 -177.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -54.27 -48.87 70.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.125 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -61.47 -40.34 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 0.0 110.206 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.534 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 35.4 tt0 -64.85 -40.36 95.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.031 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.715 HD21 ' SD ' ' B' ' 850' ' ' MET . 99.1 mt -58.67 -46.01 88.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.01 0.433 . . . . 0.0 110.454 176.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.27 -40.78 94.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.922 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -64.51 -39.53 93.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 667' ' ' LYS . 0.1 OUTLIER -65.04 -40.27 94.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -179.035 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -73.45 -26.85 61.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.41 0.624 . . . . 0.0 109.776 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 669' ' ' ARG . 40.7 ttm180 -81.0 -15.56 55.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.097 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 25.5 t -70.15 -2.01 11.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.792 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.09 162.38 4.4 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.841 0.353 . . . . 0.0 111.391 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.403 HD22 ' C ' ' A' ' 672' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.44 0.638 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -106.09 89.1 2.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.259 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 109.24 77.19 0.96 Allowed Glycine 0 N--CA 1.435 -1.375 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.899 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -119.09 -111.46 0.34 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 44.7 pt -86.26 151.03 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.797 HD12 HD13 ' A' ' 660' ' ' ILE . 3.6 mt -78.51 119.06 75.89 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.462 -168.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -78.91 178.14 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.766 2.311 . . . . 0.0 111.928 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 29.4 t -55.97 -48.72 75.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.793 -173.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -54.66 -49.85 69.61 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -170.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 44.0 mm -65.35 -43.47 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.234 0.54 . . . . 0.0 110.462 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.715 ' SD ' HD21 ' A' ' 664' ' ' LEU . 10.5 mmt -65.5 -37.0 85.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.481 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -53.65 -38.41 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.846 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -61.19 -50.0 74.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.76 -0.2 . . . . 0.0 111.317 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.43 HG12 ' O ' ' B' ' 850' ' ' MET . 8.5 p -66.38 -38.41 81.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 120.741 0.305 . . . . 0.0 111.422 -179.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.22 -39.71 94.54 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.6 0.238 . . . . 0.0 110.799 175.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -78.3 -51.79 9.6 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.612 0.244 . . . . 0.0 111.33 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -93.91 126.87 39.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.002 0.43 . . . . 0.0 110.402 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 39.2 m -154.5 128.29 4.49 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.849 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.478 ' HG3' ' O ' ' A' ' 614' ' ' THR . 17.3 Cg_endo . . . . . 0 C--O 1.25 1.093 0 C-N-CA 122.97 2.446 . . . . 0.0 112.035 178.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.579 0.228 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.0 m -63.11 -28.74 70.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.945 0.402 . . . . 0.0 110.908 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 84.4 t -76.86 -46.8 29.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.125 0.488 . . . . 0.0 110.034 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 44.4 p -74.61 -6.31 47.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.412 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.3 -41.94 80.82 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 173.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 46.7 t -57.12 -46.4 82.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.488 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . 0.476 ' HG2' ' NH2' ' C' ' 125' ' ' ARG . 34.7 mt-30 -63.18 -41.33 99.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.359 178.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -58.68 -49.65 76.78 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-O 121.336 0.589 . . . . 0.0 110.549 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.93 -41.93 97.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.123 178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . 0.476 ' NH2' ' HG2' ' C' ' 122' ' ' GLN . 58.9 ttp180 -60.03 -39.89 87.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.449 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -56.23 -38.6 71.3 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.573 -175.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.61 HG12 HD22 ' C' ' 128' ' ' LEU . 0.7 OUTLIER -61.73 -36.93 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.61 HD22 HG12 ' C' ' 127' ' ' ILE . 2.6 mm? -67.71 -42.71 81.52 Favored 'General case' 0 CA--C 1.522 -0.102 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.828 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.8 t -68.14 -17.31 64.32 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.527 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . 0.58 ' O ' ' HD3' ' C' ' 132' ' ' PRO . 3.4 tpm_? -115.08 68.14 0.7 Allowed 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.554 ' HB2' ' HB3' ' C' ' 134' ' ' TYR . 24.8 ptt180 -109.52 97.02 25.18 Favored Pre-proline 0 N--CA 1.445 -0.689 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.387 -174.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.672 ' O ' ' HG2' ' C' ' 136' ' ' LYS . 1.0 OUTLIER -87.43 -74.87 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 122.761 2.307 . . . . 0.0 110.114 168.345 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . 0.464 ' HA ' ' CG ' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.554 ' HB3' ' HB2' ' C' ' 131' ' ' ARG . 73.3 t80 -63.85 -42.25 97.61 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 119.947 -0.701 . . . . 0.0 109.171 177.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.87 -42.98 99.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.819 175.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' C' ' 132' ' ' PRO . 32.4 mmtp -53.37 -59.0 5.14 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.438 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . 0.453 HG12 ' O ' ' C' ' 133' ' ' SEP . 21.6 pt -69.21 -37.85 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.351 -177.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.576 HD12 ' CE2' ' A' ' 650' ' ' TYR . 13.3 tp -60.94 -45.79 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.226 0.536 . . . . 0.0 110.464 -178.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.6 -50.87 63.47 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.042 -0.411 . . . . 0.0 111.381 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.84 -51.79 51.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -174.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 20.9 tp -62.63 -39.16 92.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.862 -174.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.664 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 78.8 p -76.69 -17.26 59.22 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 111.297 -175.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' C' ' 144' ' ' ASP . 2.3 t -89.77 22.91 2.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.425 -171.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' C' ' 143' ' ' SER . 37.7 t70 172.87 85.41 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -117.67 91.41 38.46 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -61.91 125.52 16.73 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.015 1.81 . . . . 0.0 112.17 -176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.593 ' HA2' ' OD2' ' A' ' 598' ' ' ASP . . . -154.12 61.95 0.37 Allowed Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.75 176.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.565 ' HB ' ' HD3' ' C' ' 149' ' ' PRO . 5.1 t -158.54 -59.9 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -174.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . 0.565 ' HD3' ' HB ' ' C' ' 148' ' ' VAL . 93.2 Cg_endo . . . . . 0 C--O 1.252 1.224 0 C-N-CA 122.018 1.812 . . . . 0.0 112.066 174.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.249 0 CA-C-O 120.318 -0.157 . . . . 0.0 112.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.8 p -68.42 102.96 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 120.979 0.419 . . . . 0.0 110.356 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.26 3.47 4.13 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.474 -177.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -142.94 72.75 1.38 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.21 0.528 . . . . 0.0 109.948 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -76.09 -9.73 85.39 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.387 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -52.07 -45.3 64.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.744 177.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -69.62 -6.56 32.07 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.102 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -84.5 -25.75 28.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 0.0 110.303 -179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -100.73 5.47 43.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.049 0.452 . . . . 0.0 110.105 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 84.0 t -122.34 124.49 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.4 p -100.89 159.99 14.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.747 0.308 . . . . 0.0 111.353 -175.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -62.91 -38.73 92.13 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 173.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -56.53 -43.83 80.23 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.635 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.76 -46.11 77.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.909 0.385 . . . . 0.0 110.225 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.629 ' O ' HG23 ' A' ' 604' ' ' VAL . 44.5 mtm180 -62.83 -41.21 99.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.686 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.8 m -56.63 -41.75 77.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.22 0.533 . . . . 0.0 110.747 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.401 ' HD2' ' C ' ' C' ' 147' ' ' GLY . 33.7 m80 -65.56 -40.33 92.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 22.0 mt -65.29 -43.54 90.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.648 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.8 t -59.69 -40.73 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.61 177.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.499 ' HB2' ' HA3' ' C' ' 147' ' ' GLY . 26.2 m80 -61.71 -40.7 95.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.595 176.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.722 ' HD2' ' HA ' ' C' ' 145' ' ' ALA . 46.7 mtpt -63.64 -39.5 94.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.475 176.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.79 -47.99 80.98 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.795 176.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 82.7 t -60.53 -47.21 93.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 605' ' ' HIS . 27.7 mt-30 -56.32 -38.66 71.61 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.032 0.444 . . . . 0.0 111.363 -177.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -58.98 -38.66 79.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.743 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.417 HD13 HD11 ' B' ' 845' ' ' LEU . 50.9 mt -89.51 -35.0 7.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.519 -176.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -122.91 99.66 41.13 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.028 -175.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.524 ' O ' ' HD3' ' A' ' 615' ' ' PRO . 59.4 Cg_endo -70.4 -42.15 2.95 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 122.392 2.061 . . . . 0.0 113.222 -176.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 41.6 p -105.66 86.28 1.76 Allowed Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 613' ' ' PRO . 41.6 Cg_exo -59.04 150.06 75.62 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.002 1.802 . . . . 0.0 112.287 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -137.86 126.99 14.83 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.152 -177.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.469 ' HA ' HD12 ' A' ' 620' ' ' LEU . 12.2 Cg_endo -56.71 -33.36 93.63 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.572 2.848 . . . . 0.0 113.774 -174.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.85 -19.25 24.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.718 0.294 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 625' ' ' MET . . . -73.37 -37.29 66.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.516 0.674 . . . . 0.0 109.872 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.3 mt -63.59 -20.5 65.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.542 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -100.17 7.82 44.28 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -178.689 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -95.94 145.26 25.55 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -58.73 -40.67 84.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.768 -175.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -65.93 -50.67 63.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 111.148 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.41 ' HB3' ' O ' ' A' ' 619' ' ' ALA . 0.9 OUTLIER -66.21 -40.05 90.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.028 -179.199 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.65 -40.71 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.616 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -60.27 -37.77 81.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.028 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 42.4 tp -63.85 -44.22 93.8 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.394 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.01 -37.32 77.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.101 0.477 . . . . 0.0 109.901 175.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.72 92.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.429 0.633 . . . . 0.0 109.555 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.454 ' CZ ' ' HA2' ' B' ' 842' ' ' GLY . 23.9 t80 -62.28 -41.75 98.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.727 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.47 98.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . 0.447 ' C ' ' HD3' ' A' ' 633' ' ' LYS . 4.2 tmtm? -64.35 -42.77 96.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.085 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . 0.433 ' HZ2' ' HA ' ' A' ' 631' ' ' TYR . 10.0 mtmp? -64.25 -42.84 96.3 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 51.3 t -58.56 -48.82 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 175.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -58.15 -42.62 86.3 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.401 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -65.22 -40.39 96.68 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.342 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -58.63 -46.44 87.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.651 0.262 . . . . 0.0 110.549 -177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.15 -40.48 94.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -55.56 -39.89 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.586 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.0 -42.28 94.61 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.682 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 15.1 m -90.01 -25.86 20.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.188 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.69 -68.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.127 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 46.16 23.6 0.21 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.85 0.86 . . . . 0.0 112.9 -174.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 16.5 m -157.06 154.41 29.47 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -65.32 -51.15 62.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.838 0.351 . . . . 0.0 111.626 -175.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -66.01 -40.7 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.312 -173.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.06 -38.22 90.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -62.7 -50.04 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.856 -177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.515 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 75.8 t80 -64.93 -41.46 95.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.979 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -64.35 -39.54 94.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.354 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.77 -39.5 94.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.649 -178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 41.2 mt -63.19 -40.95 98.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.783 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.34 97.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.264 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.59 -49.56 72.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.812 0.339 . . . . 0.0 110.748 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 656' ' ' LYS . 29.9 ttmt -67.11 -40.51 86.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.507 -173.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -61.3 -40.94 87.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.885 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -65.93 -38.63 89.16 Favored 'General case' 0 C--O 1.226 -0.17 0 O-C-N 122.317 -0.239 . . . . 0.0 110.945 173.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -55.32 -50.21 70.18 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.31 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' B' ' 845' ' ' LEU . 69.0 mt -65.44 -49.38 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.987 0.422 . . . . 0.0 110.388 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.512 ' HA ' HD12 ' A' ' 664' ' ' LEU . 40.9 tt0 -55.02 -40.45 70.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.211 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.4 -47.87 84.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.157 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 666' ' ' GLU . 28.9 tt0 -65.24 -38.51 90.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.775 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 661' ' ' GLN . 95.2 mt -54.48 -40.72 68.75 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.478 177.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -64.1 -49.24 73.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.538 176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 1.0 OUTLIER -65.67 -43.24 89.92 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.662 -175.251 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.642 ' HE3' ' SD ' ' B' ' 850' ' ' MET . 1.1 ptpm? -64.85 -40.35 95.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.048 0.451 . . . . 0.0 110.44 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -72.86 -22.26 60.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.28 0.562 . . . . 0.0 109.962 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -75.84 -28.35 58.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.35 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 31.1 t -100.91 -12.83 18.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.734 0.302 . . . . 0.0 111.015 -176.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -168.67 72.03 0.09 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.332 0.587 . . . . 0.0 110.626 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.42 HD22 ' C ' ' A' ' 672' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.238 -0.887 . . . . 0.0 112.045 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 CA--C 1.52 -0.193 0 CA-C-O 121.008 0.433 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -75.55 -19.66 59.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.986 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . 0.454 ' HA2' ' CZ ' ' A' ' 631' ' ' TYR . . . 143.29 77.07 0.04 OUTLIER Glycine 0 N--CA 1.434 -1.461 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.607 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.459 HD22 ' N ' ' B' ' 843' ' ' ASN . 0.9 OUTLIER -110.54 -70.17 0.83 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.674 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.77 146.05 31.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.478 ' HA ' ' HD3' ' B' ' 846' ' ' PRO . 3.7 mt -77.34 124.24 86.96 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 120.857 0.36 . . . . 0.0 111.294 -173.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 20.2 Cg_exo -65.94 169.22 13.73 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.024 2.483 . . . . 0.0 112.625 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 12.5 p -55.48 -40.79 72.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.678 0.275 . . . . 0.0 111.46 -176.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -53.67 -51.88 61.76 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.797 -176.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 23.4 mm -67.45 -43.47 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.228 0.537 . . . . 0.0 110.927 179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.642 ' SD ' ' HE3' ' A' ' 667' ' ' LYS . 3.6 mmt -64.56 -46.85 81.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.683 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.42 -39.98 81.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.589 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -64.64 -49.71 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.193 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.3 -38.97 83.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.252 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.0 -38.06 89.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.609 -0.268 . . . . 0.0 110.93 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -91.59 34.9 0.96 Allowed 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.252 0.548 . . . . 0.0 110.885 -175.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -93.56 166.94 12.0 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 175.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 12.4 m -109.92 98.71 35.51 Favored Pre-proline 0 C--N 1.319 -0.743 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 172.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo . . . . . 0 C--O 1.249 1.042 0 C-N-CA 122.753 2.302 . . . . 0.0 111.934 -179.793 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.228 0.537 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.5 m -64.46 -31.41 72.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.332 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 88.5 t -52.05 -50.64 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 110.942 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 35.8 p -78.67 26.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.64 -39.84 74.39 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 22.9 t -58.02 -45.4 86.99 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.878 -0.146 . . . . 0.0 111.217 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -64.0 -42.02 97.3 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.797 0.332 . . . . 0.0 110.39 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.457 ' O ' HG23 ' C' ' 127' ' ' ILE . 35.1 mmtm -62.16 -41.8 98.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.988 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.59 ' O ' HG12 ' C' ' 127' ' ' ILE . 28.7 ttm180 -59.67 -43.48 93.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.019 176.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -60.74 -41.72 95.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.267 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -60.16 -41.23 92.37 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.021 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.633 ' O ' ' HG3' ' C' ' 131' ' ' ARG . 0.8 OUTLIER -64.63 -40.17 88.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.0 109.894 179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.536 HD22 HG12 ' C' ' 127' ' ' ILE . 0.8 OUTLIER -67.8 -38.29 83.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.146 -177.518 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 33.9 t -53.64 -34.0 57.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.186 176.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 130' ' ' ARG . 43.2 ttm180 -164.95 85.65 0.41 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.026 0.441 . . . . 0.0 112.164 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.633 ' HG3' ' O ' ' C' ' 127' ' ' ILE . 5.9 mtp180 -113.51 124.7 30.78 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 166.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.51 -37.92 43.26 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.154 2.569 . . . . 0.0 112.842 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' C' ' 138' ' ' LEU . 12.2 t80 -58.01 -47.26 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.544 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -60.49 -41.17 93.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.66 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -57.16 -59.59 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.351 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' C' ' 141' ' ' LEU . 27.4 pt -66.97 -38.42 81.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.343 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' C' ' 134' ' ' TYR . 10.5 tp -57.22 -47.16 82.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.393 0.616 . . . . 0.0 111.686 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -56.71 -49.13 76.08 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.492 -176.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -65.35 -48.05 74.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.449 0.642 . . . . 0.0 111.104 174.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.515 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 11.2 tp -57.19 -42.18 80.75 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 114.61 -1.177 . . . . 0.0 112.838 -171.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 6.8 p -68.9 -30.21 68.64 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -174.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 6.6 m -110.07 50.26 0.81 Allowed 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.724 0.297 . . . . 0.0 110.228 -173.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . 0.615 ' O ' ' HD3' ' C' ' 146' ' ' PRO . 27.1 t70 170.67 83.14 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.432 -173.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.722 ' HA ' ' HD2' ' A' ' 606' ' ' LYS . . . -105.69 75.02 0.31 Allowed Pre-proline 0 CA--C 1.559 1.295 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . 0.615 ' HD3' ' O ' ' C' ' 144' ' ' ASP . 3.6 Cg_exo -72.48 158.92 50.3 Favored 'Trans proline' 0 C--N 1.368 1.588 0 C-N-CA 124.621 3.548 . . . . 0.0 113.605 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.499 ' HA3' ' HB2' ' A' ' 605' ' ' HIS . . . 134.78 81.96 0.16 Allowed Glycine 0 C--N 1.341 0.861 0 C-N-CA 119.963 -1.113 . . . . 0.0 114.037 171.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . . . . . . . . . 2.3 t -105.03 -53.98 0.1 OUTLIER Pre-proline 0 N--CA 1.488 1.47 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -169.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo . . . . . 0 C--O 1.247 0.974 0 C-N-CA 122.436 2.09 . . . . 0.0 112.853 -175.389 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.387 0 N-CA-C 111.889 -0.485 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.71 138.42 23.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.289 0.566 . . . . 0.0 111.922 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.0 52.84 1.03 Allowed 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 172.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -143.02 86.08 1.9 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 114.741 -1.118 . . . . 0.0 108.773 -172.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -50.2 -43.75 42.64 Favored Glycine 0 N--CA 1.453 -0.209 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.972 -177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -57.37 -34.45 68.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.425 ' HD2' ' OH ' ' A' ' 640' ' ' TYR . 57.7 t-80 -70.29 -25.19 63.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.765 0.317 . . . . 0.0 110.517 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -60.8 -19.25 59.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.287 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -84.45 3.64 35.29 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.857 0.361 . . . . 0.0 110.803 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 60.8 t -127.94 125.06 64.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 56.3 p -99.0 154.22 18.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.157 0.504 . . . . 0.0 111.739 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -63.32 -36.82 84.95 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.372 173.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -55.9 -40.81 73.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.039 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' C' ' 145' ' ' ALA . 61.2 tp -57.54 -49.66 75.64 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.851 176.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.614 ' O ' HG23 ' A' ' 604' ' ' VAL . 56.0 mtm180 -62.9 -43.09 99.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.613 -178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 20.0 m -57.97 -40.8 81.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.795 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.48 ' CE1' ' HA3' ' C' ' 147' ' ' GLY . 24.1 m80 -65.55 -40.79 93.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.488 176.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.425 HD23 ' HD2' ' A' ' 606' ' ' LYS . 17.7 mt -65.45 -48.03 74.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.218 -176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.3 t -58.59 -40.65 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 121.066 0.46 . . . . 0.0 110.173 177.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.445 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 20.0 t-80 -62.07 -41.33 98.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.572 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.425 ' HD2' HD23 ' A' ' 603' ' ' LEU . 68.2 mttm -59.61 -39.99 86.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.677 177.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -46.11 90.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.895 178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.94 -47.36 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.385 174.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 16.3 mm100 -55.5 -37.39 67.8 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.082 0.467 . . . . 0.0 110.898 -177.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.27 71.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.848 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 48.5 mt -90.33 -39.63 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.206 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 613' ' ' PRO . 0.1 OUTLIER -124.09 102.83 33.79 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 612' ' ' PHE . 37.9 Cg_endo -64.05 -36.02 50.73 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 122.603 2.202 . . . . 0.0 113.321 -176.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 4.4 t -141.69 105.38 5.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 121.405 0.621 . . . . 0.0 110.632 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.23 132.61 53.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.237 2.625 . . . . 0.0 113.038 178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.23 137.02 20.33 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.532 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.43 ' HA ' HD12 ' A' ' 620' ' ' LEU . 6.8 Cg_endo -47.04 -47.76 16.05 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.074 2.516 . . . . 0.0 113.285 -174.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -76.27 -25.38 54.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.616 0.246 . . . . 0.0 111.354 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 625' ' ' MET . . . -72.72 -40.63 65.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.003 0.43 . . . . 0.0 110.109 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 617' ' ' PRO . 3.7 mt -58.08 -36.6 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.211 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -93.44 12.55 24.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.866 0.365 . . . . 0.0 111.095 -177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -98.39 155.34 17.28 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.52 -175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 623' ' ' ARG . 2.1 tmt_? -55.2 -38.65 68.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.088 0.47 . . . . 0.0 110.091 174.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.712 ' HA ' ' OD1' ' A' ' 627' ' ' ASN . 30.4 mmt180 -57.67 -38.69 75.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.964 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 629' ' ' VAL . 17.3 tpt -60.25 -43.23 96.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.9 0.381 . . . . 0.0 110.061 175.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -60.28 -48.91 79.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.092 -176.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . 0.712 ' OD1' ' HA ' ' A' ' 624' ' ' ARG . 2.2 p-10 -65.37 -38.66 90.73 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.887 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.7 -50.04 75.1 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.531 178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 625' ' ' MET . 5.9 t -59.51 -37.4 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.394 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.88 -46.32 82.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.42 ' O ' HG23 ' A' ' 635' ' ' VAL . 77.4 t80 -57.52 -44.05 84.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.144 175.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.75 95.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.268 0.556 . . . . 0.0 109.928 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -51.09 67.53 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.041 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -58.18 -45.04 88.24 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.934 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.584 ' O ' ' HG2' ' A' ' 639' ' ' MET . 71.6 t -57.9 -49.18 81.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.947 178.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.01 -40.73 77.22 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.955 0.407 . . . . 0.0 110.3 178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.92 -45.99 92.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.398 -178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.86 -39.72 91.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.714 0.292 . . . . 0.0 110.812 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.584 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 25.4 mmt -57.09 -50.83 71.58 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.709 178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.425 ' OH ' ' HD2' ' A' ' 592' ' ' HIS . 19.5 t80 -60.67 -39.7 89.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.039 -177.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -65.31 -39.9 93.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.86 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 30.4 p -94.51 -47.95 6.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -171.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . 0.57 ' HA ' ' OE2' ' A' ' 648' ' ' GLU . . . -53.64 -60.94 2.66 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.712 0.405 . . . . 0.0 111.902 -177.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.96 -9.7 0.45 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.701 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.0 m -132.53 147.22 52.35 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.444 ' HG3' ' N ' ' A' ' 647' ' ' ASP . 36.6 ptt180 -61.16 -49.56 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 646' ' ' ARG . 10.8 p-10 -63.2 -45.42 91.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.282 -174.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.57 ' OE2' ' HA ' ' A' ' 643' ' ' ALA . 38.1 tt0 -64.7 -37.16 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.265 176.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.25 -49.99 75.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.729 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.738 ' CE2' ' HB3' ' C' ' 142' ' ' SER . 83.2 t80 -65.66 -44.45 86.25 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.94 0.4 . . . . 0.0 110.899 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -55.88 -42.9 76.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.188 -176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.25 -41.26 94.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.6 -43.44 80.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.74 -47.46 86.18 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-O 121.014 0.435 . . . . 0.0 110.776 -177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.485 ' OE1' HD21 ' C' ' 128' ' ' LEU . 15.1 tp10 -61.97 -39.79 93.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.183 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -65.71 -47.92 73.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.871 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.0 pt -64.05 -39.66 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.958 -175.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 1.229 ' CE2' ' HD2' ' A' ' 662' ' ' LYS . 7.0 t80 -64.55 -39.59 94.03 Favored 'General case' 0 C--N 1.34 0.192 0 CA-C-N 118.071 0.396 . . . . 0.0 110.708 177.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 659' ' ' LYS . 0.2 OUTLIER -55.51 -47.07 76.8 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.332 179.208 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.485 ' O ' ' HG ' ' A' ' 664' ' ' LEU . 71.6 mt -65.8 -50.51 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.234 0.54 . . . . 0.0 110.106 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.445 ' HA ' HD12 ' A' ' 664' ' ' LEU . 23.6 tp60 -55.01 -48.07 73.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.864 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . 1.229 ' HD2' ' CE2' ' A' ' 658' ' ' TYR . 56.8 mtpt -64.48 -39.36 93.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.855 0.36 . . . . 0.0 110.72 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.48 -40.72 97.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.057 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.497 ' O ' ' HG2' ' A' ' 667' ' ' LYS . 86.5 mt -59.28 -47.38 85.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.573 176.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 669' ' ' ARG . 33.4 tt0 -67.58 -49.8 61.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.169 -173.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -56.73 -40.27 75.43 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.483 -173.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 664' ' ' LEU . 22.0 pttm -64.95 -37.2 86.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.253 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -74.4 -25.62 59.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.118 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 665' ' ' GLU . 32.5 mmt180 -60.52 -39.07 86.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.063 174.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 14.5 m -88.1 2.89 50.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.909 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 63.0 156.85 0.06 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.321 -175.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.569 173.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 . . . . . 0 CA--C 1.52 -0.19 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -118.84 92.21 3.75 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.947 -175.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 78.11 118.27 0.21 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 121.025 -0.607 . . . . 0.0 113.052 176.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' B' ' 843' ' ' ASN . 0.3 OUTLIER -92.24 14.91 14.89 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 174.177 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 11.4 mt -107.28 144.49 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.723 -176.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.571 ' H ' HD22 ' B' ' 845' ' ' LEU . 0.0 OUTLIER -79.42 158.3 74.08 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.764 -178.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -85.45 168.34 10.03 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.569 2.18 . . . . 0.0 113.017 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 36.9 t -57.43 -38.53 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.2 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -52.44 -48.56 65.74 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.215 -0.448 . . . . 0.0 112.182 -172.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 7.6 mm -66.18 -40.32 86.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.218 0.532 . . . . 0.0 110.333 178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.463 ' O ' HG12 ' B' ' 853' ' ' VAL . 3.6 mmt -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.623 -177.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -55.17 -39.12 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.573 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 624' ' ' ARG . 44.9 t80 -62.58 -49.18 76.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.804 -0.18 . . . . 0.0 111.441 -178.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.463 HG12 ' O ' ' B' ' 850' ' ' MET . 8.6 p -64.15 -38.36 82.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.915 0.388 . . . . 0.0 110.798 -177.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.12 -38.49 86.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 175.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -82.58 -10.51 58.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.689 -175.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -104.47 131.05 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.234 0.54 . . . . 0.0 112.011 -177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 67.6 m -117.54 93.66 43.83 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.666 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.291 2.66 . . . . 0.0 112.496 -177.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 CA--C 1.526 0.054 0 CA-C-O 120.737 0.303 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.6 m -82.21 -30.14 31.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.31 0.576 . . . . 0.0 110.014 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 48.1 t -74.85 -48.61 32.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.994 176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 69.9 p -87.3 34.59 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.082 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.66 -43.73 98.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.985 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 21.1 t -58.17 -48.67 79.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.248 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.77 -42.79 98.19 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.018 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -59.57 -47.56 85.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.794 0.33 . . . . 0.0 110.283 177.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.692 ' O ' HG12 ' C' ' 127' ' ' ILE . 25.8 ttm180 -54.98 -47.1 75.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.344 176.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -58.3 -43.81 88.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.472 . . . . 0.0 110.341 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -55.17 -39.37 69.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.56 178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.692 HG12 ' O ' ' C' ' 124' ' ' ARG . 1.7 pt -63.32 -40.21 88.2 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.096 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.555 HD12 ' CD1' ' C' ' 134' ' ' TYR . 2.0 mm? -62.46 -42.92 99.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 110.183 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m -55.74 -24.72 36.73 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.768 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -142.62 59.16 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.481 0.658 . . . . 0.0 109.766 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.575 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 1.4 tpm_? -112.67 99.61 48.17 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.175 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' C' ' 136' ' ' LYS . 76.9 Cg_exo -51.48 -45.25 38.69 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.394 2.73 . . . . 0.0 113.748 -177.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . 0.452 ' H ' ' P ' ' C' ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.555 ' CD1' HD12 ' C' ' 128' ' ' LEU . 58.3 t80 -61.53 -46.26 90.71 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.763 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' C' ' 135' ' ' ARG . 23.7 ttt180 -61.87 -41.6 98.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.727 0.299 . . . . 0.0 110.611 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' C' ' 132' ' ' PRO . 8.2 tmtt? -59.14 -56.55 20.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.848 178.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.8 pt -67.24 -35.28 73.58 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.679 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.619 HD12 ' CE2' ' A' ' 650' ' ' TYR . 13.9 tp -57.39 -50.16 73.87 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 123.014 0.196 . . . . 0.0 111.229 -177.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -65.66 -52.61 50.37 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -66.96 -49.35 65.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.456 0.646 . . . . 0.0 112.076 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . . . . . . . . . 24.1 tp -64.06 -37.82 88.82 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.574 -177.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.738 ' HB3' ' CE2' ' A' ' 650' ' ' TYR . 84.9 p -70.2 1.13 5.12 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t -67.66 33.13 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -175.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . 0.533 ' H ' ' C ' ' C' ' 142' ' ' SER . 20.9 t70 73.76 65.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 124.223 1.009 . . . . 0.0 109.214 176.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.401 ' HB3' HD12 ' A' ' 599' ' ' LEU . . . -5.32 92.71 0.03 OUTLIER Pre-proline 0 N--CA 1.482 1.158 0 O-C-N 125.021 1.451 . . . . 0.0 113.365 -171.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.24 125.62 18.03 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.152 2.568 . . . . 0.0 113.634 -168.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 602' ' ' HIS . . . -158.49 -88.16 0.07 OUTLIER Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.117 -0.947 . . . . 0.0 112.373 174.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 3.0 t 71.92 109.54 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 121.037 0.446 . . . . 0.0 110.318 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.954 2.436 . . . . 0.0 111.873 177.784 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 120.221 -0.211 . . . . 0.0 112.665 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.21 96.93 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 117.141 0.47 . . . . 0.0 110.684 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.549 ' HA ' ' NE ' ' A' ' 588' ' ' ARG . 0.4 OUTLIER 50.09 -101.83 0.1 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.895 -177.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.476 ' HG2' ' HG3' ' A' ' 588' ' ' ARG . 2.1 mmmm -129.97 94.72 3.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 174.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -52.39 -37.72 49.06 Favored Glycine 0 C--N 1.331 0.253 0 O-C-N 123.618 0.574 . . . . 0.0 112.663 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . 0.672 ' HA ' ' NH1' ' A' ' 646' ' ' ARG . 1.2 m95 -50.88 -49.59 58.89 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 122.591 0.356 . . . . 0.0 111.25 174.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -62.55 -22.61 66.46 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 123.172 0.589 . . . . 0.0 111.847 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.82 -13.02 60.28 Favored 'General case' 0 C--N 1.317 -0.82 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.461 -170.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -106.34 2.43 26.58 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.052 0.454 . . . . 0.0 110.237 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.43 HG13 HD23 ' A' ' 599' ' ' LEU . 83.0 t -118.77 126.05 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 29.0 p -105.15 166.88 10.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.873 0.368 . . . . 0.0 111.814 -176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -64.34 -39.03 93.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.589 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.48 -39.97 92.83 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.219 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.43 HD23 HG13 ' A' ' 595' ' ' VAL . 38.4 tp -57.86 -43.7 86.09 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.631 ' O ' HG23 ' A' ' 604' ' ' VAL . 93.9 mtt180 -61.38 -42.82 99.33 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.374 177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 17.6 m -55.9 -39.76 72.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -64.72 -41.18 96.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.176 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.14 -44.1 85.16 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.93 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.4 t -61.89 -40.94 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-O 121.17 0.509 . . . . 0.0 109.942 177.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 14.1 t60 -60.09 -45.54 92.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.602 176.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.477 ' HD3' HD11 ' C' ' 141' ' ' LEU . 96.2 mttt -60.72 -37.27 81.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.568 176.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.93 -48.21 78.81 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.42 -43.83 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 174.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.5 mm100 -55.9 -38.42 70.19 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.038 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -57.35 -36.58 71.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.565 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.475 ' CD1' HD11 ' A' ' 628' ' ' LEU . 14.5 mt -85.3 -31.3 6.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.396 -173.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -151.0 114.95 3.16 Favored Pre-proline 0 N--CA 1.47 0.568 0 CA-C-O 121.253 0.549 . . . . 0.0 110.774 169.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -61.13 -30.27 88.68 Favored 'Trans proline' 0 N--CA 1.479 0.619 0 C-N-CA 123.461 2.774 . . . . 0.0 114.273 -174.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 5.9 t -135.04 102.97 10.81 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.408 0.623 . . . . 0.0 111.695 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -67.87 130.16 21.2 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 123.012 2.474 . . . . 0.0 112.481 177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -75.93 152.92 84.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 176.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' ' 620' ' ' LEU . 31.5 Cg_exo -57.3 -32.77 94.71 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.616 2.211 . . . . 0.0 112.333 178.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -83.37 -19.92 35.18 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.0 110.794 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.01 -39.62 65.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.046 0.451 . . . . 0.0 110.482 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 617' ' ' PRO . 2.5 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.657 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -100.1 6.83 44.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.054 0.454 . . . . 0.0 110.811 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -86.59 129.09 35.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.932 -173.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 626' ' ' GLU . 10.5 mtp180 -61.04 -38.02 84.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.07 -178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -64.73 -40.11 94.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.121 0.486 . . . . 0.0 109.832 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.415 ' O ' HG23 ' A' ' 629' ' ' VAL . 2.0 tmt? -65.94 -40.09 91.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.717 175.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 623' ' ' ARG . 30.2 tt0 -55.71 -42.65 75.57 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.466 175.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -58.21 -39.74 79.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.387 175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 611' ' ' ILE . 25.3 tp -64.68 -43.77 92.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.499 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 625' ' ' MET . 2.6 t -59.51 -36.98 67.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 120.955 0.407 . . . . 0.0 109.973 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.82 -40.26 96.2 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.984 -178.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -64.41 -43.53 94.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.129 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.76 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.132 0.492 . . . . 0.0 110.199 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -64.9 -44.25 90.2 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.322 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -60.76 -49.27 78.17 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.768 177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 54.5 t -55.78 -47.45 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.998 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.9 -47.12 78.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.565 178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.17 -50.05 53.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.17 -175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -66.7 -38.68 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.42 -0.39 . . . . 0.0 111.134 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.472 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 41.2 tpp -60.07 -49.53 77.28 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.004 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -57.52 -37.17 72.59 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.597 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.791 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 14.3 m -91.03 -30.67 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.693 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.32 2.7 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 122.788 0.435 . . . . 0.0 112.078 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 7.6 t30 72.56 -28.83 0.19 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 177.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 5.9 m -128.04 160.26 32.5 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 122.045 -0.409 . . . . 0.0 110.291 -172.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . 0.672 ' NH1' ' HA ' ' A' ' 591' ' ' TRP . 0.0 OUTLIER -66.27 -51.07 61.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 111.679 -175.363 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -62.5 -41.99 99.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.466 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.95 -38.26 90.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.719 177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.89 -49.7 76.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.266 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.559 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 83.5 t80 -64.95 -45.12 87.06 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.017 178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -64.19 -41.24 97.17 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.584 -174.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.472 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 70.2 mt -65.09 -40.92 95.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.309 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 66.8 mt -66.78 -42.58 85.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.689 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -60.58 -43.87 96.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.942 0.401 . . . . 0.0 110.74 -178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.465 ' OE2' HD21 ' C' ' 128' ' ' LEU . 42.6 tt0 -64.05 -40.0 95.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 176.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -64.7 -50.72 65.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.744 -175.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.4 pt -66.32 -38.74 82.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.693 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.676 ' OH ' ' HD3' ' C' ' 131' ' ' ARG . 32.7 t80 -65.17 -49.3 70.33 Favored 'General case' 0 C--N 1.341 0.223 0 CA-C-O 120.537 0.208 . . . . 0.0 111.494 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -57.96 -43.85 86.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.583 -175.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 1.004 HG21 HD12 ' B' ' 845' ' ' LEU . 24.7 mt -69.19 -48.59 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.94 0.4 . . . . 0.0 110.505 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -55.09 -44.6 75.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -56.64 -42.87 79.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.321 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 5.9 tp10 -65.53 -47.49 75.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.583 178.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.461 HD23 ' HD2' ' A' ' 667' ' ' LYS . 89.2 mt -56.95 -39.51 74.7 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.38 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.8 -48.42 81.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.43 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -39.72 93.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.31 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.461 ' HD2' HD23 ' A' ' 664' ' ' LEU . 68.5 mttm -56.56 -47.06 80.28 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.645 0.259 . . . . 0.0 111.305 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.72 -21.36 52.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.287 0.565 . . . . 0.0 110.04 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 669' ' ' ARG . 41.7 ttp180 -74.65 -22.47 58.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 176.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 23.3 t -105.47 -3.31 22.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -160.83 61.5 0.3 Allowed 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 121.798 0.809 . . . . 0.0 110.241 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 C--O 1.251 1.173 0 CA-C-N 114.878 -1.055 . . . . 0.0 110.721 178.475 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -47.15 -18.48 0.09 Allowed 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 99.85 135.29 8.85 Favored Glycine 0 N--CA 1.442 -0.928 0 C-N-CA 120.788 -0.72 . . . . 0.0 113.054 173.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -70.63 -48.25 55.97 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.529 0.204 . . . . 0.0 110.593 177.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . 0.45 ' HA ' HG12 ' A' ' 660' ' ' ILE . 3.1 mt -103.7 151.13 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.394 -169.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 1.004 HD12 HG21 ' A' ' 660' ' ' ILE . 1.4 mt -80.82 147.32 62.01 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.66 151.17 86.32 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.964 2.443 . . . . 0.0 112.402 176.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 19.2 m -55.39 -39.62 70.38 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 114.482 -1.235 . . . . 0.0 112.408 -173.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' B' ' 851' ' ' ASP . 33.1 t70 -59.91 -41.42 91.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.775 0.321 . . . . 0.0 111.515 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 9.8 mm -65.07 -40.97 90.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.547 ' HA ' ' HE3' ' B' ' 850' ' ' MET . 0.0 OUTLIER -58.44 -40.63 83.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 174.503 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' B' ' 848' ' ' ASP . 37.9 m-20 -55.24 -42.9 74.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.579 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -65.83 -52.2 52.54 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.301 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.75 -44.63 85.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.577 -176.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.3 -46.58 76.47 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -73.64 -60.17 2.37 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 120.53 -0.468 . . . . 0.0 112.014 -167.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -172.81 141.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.682 -171.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 26.7 m -116.63 103.93 51.99 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 171.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo . . . . . 0 C--O 1.245 0.848 0 C-N-CA 122.826 2.35 . . . . 0.0 112.665 -175.081 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 120.422 0.153 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' C' ' 120' ' ' ASP . 2.4 m -74.48 -34.42 63.11 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.952 177.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 77.6 t -58.0 -63.16 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.331 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 77.8 p -92.59 22.68 4.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.064 0.459 . . . . 0.0 110.692 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' C' ' 117' ' ' SER . 9.9 t70 -56.41 -46.37 80.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.113 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 13.2 m -57.06 -49.32 76.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -64.83 -50.43 66.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 111.567 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -65.14 -52.37 55.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.27 -173.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.562 ' O ' HG12 ' C' ' 127' ' ' ILE . 6.6 ttp180 -64.93 -42.54 94.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.124 -176.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -56.75 -38.31 72.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.398 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -55.17 -41.29 71.68 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.175 -174.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.672 ' O ' ' HG2' ' C' ' 131' ' ' ARG . 6.0 pt -66.61 -41.92 89.05 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.135 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.465 HD21 ' OE2' ' A' ' 655' ' ' GLU . 1.1 mm? -65.04 -38.14 89.89 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.445 -171.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 20.5 t -55.33 -17.1 4.17 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.15 -174.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.79 45.43 2.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.729 0.3 . . . . 0.0 110.683 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.676 ' HD3' ' OH ' ' A' ' 658' ' ' TYR . 4.2 mmp_? -112.47 102.86 54.99 Favored Pre-proline 0 N--CA 1.465 0.275 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.478 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.19 -58.22 0.22 Allowed 'Trans proline' 0 CA--C 1.529 0.227 0 C-N-CA 122.833 2.355 . . . . 0.0 112.722 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' C' ' 138' ' ' LEU . 83.7 t80 -61.89 -48.55 80.0 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.154 174.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.461 ' C ' ' HD3' ' C' ' 135' ' ' ARG . 2.7 tmt_? -62.39 -42.83 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.701 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -52.87 -58.88 5.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.459 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 41.7 pt -69.11 -31.97 52.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.465 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.937 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.449 HD12 ' CE2' ' A' ' 650' ' ' TYR . 14.9 tp -57.93 -45.05 87.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.241 0.543 . . . . 0.0 110.846 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -66.58 -52.59 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.937 0.399 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' C' ' 143' ' ' SER . 16.4 m-20 -66.88 -47.14 72.75 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -174.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.489 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 8.7 tp -62.03 -36.71 82.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.437 -170.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 8.4 p -76.53 -1.95 29.89 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -177.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' C' ' 140' ' ' ASP . 21.2 t -43.19 -52.73 5.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -172.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -162.76 54.75 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -49.61 105.9 0.56 Allowed Pre-proline 0 N--CA 1.47 0.539 0 O-C-N 122.237 -0.29 . . . . 0.0 110.565 161.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -67.61 127.82 17.03 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.857 2.372 . . . . 0.0 112.434 -177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -154.53 -137.55 2.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.558 175.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.453 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 41.7 t 72.35 114.26 0.03 OUTLIER Pre-proline 0 C--O 1.235 0.303 0 C-N-CA 122.967 0.507 . . . . 0.0 111.658 178.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.251 1.145 0 C-N-CA 122.737 2.291 . . . . 0.0 112.056 179.133 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.909 0 CA-C-O 119.741 -0.477 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . . . . . . . . . 6.7 m -76.95 102.65 3.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 118.324 1.062 . . . . 0.0 111.102 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -100.66 -67.49 0.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -164.5 58.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.732 0.777 . . . . 0.0 109.365 172.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -111.77 7.58 27.78 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.602 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 57.0 p-90 -56.41 -21.02 22.31 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 -64.53 -26.45 68.42 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-O 120.759 0.314 . . . . 0.0 110.849 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -58.3 -25.85 62.34 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -83.35 -5.64 59.21 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 120.927 0.394 . . . . 0.0 110.75 178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . 0.47 HG13 HD23 ' A' ' 599' ' ' LEU . 53.6 t -120.47 105.47 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 81.9 p -98.75 165.88 11.58 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.607 -169.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' A' ' 597' ' ' GLN . 0.0 OUTLIER -57.64 -37.67 73.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.771 173.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -55.62 -47.38 76.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' C' ' 147' ' ' GLY . 47.2 tp -59.78 -45.59 91.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.688 176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.578 ' O ' HG23 ' A' ' 604' ' ' VAL . 37.3 mmm-85 -63.02 -49.67 73.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.826 -177.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 10.9 t -58.25 -39.85 80.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.481 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -64.45 -40.01 94.9 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' A' ' 606' ' ' LYS . 18.5 mt -65.26 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.298 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.0 t -64.61 -41.26 91.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.379 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -60.04 -49.12 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 603' ' ' LEU . 21.7 ptmt -61.68 -36.98 82.41 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -46.37 86.23 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.47 -45.16 98.61 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.097 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.825 176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -55.76 -37.87 69.1 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.829 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.23 85.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.552 178.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.577 HG12 HG21 ' A' ' 660' ' ' ILE . 12.7 mt -84.47 -37.84 13.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.081 -176.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.83 104.82 9.79 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -64.07 -41.48 22.38 Favored 'Trans proline' 0 N--CA 1.475 0.423 0 C-N-CA 122.737 2.291 . . . . 0.0 113.775 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 1.8 t -155.07 90.53 2.99 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-O 121.026 0.441 . . . . 0.0 111.798 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.91 147.08 26.67 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.686 2.257 . . . . 0.0 111.038 173.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -83.14 156.6 66.63 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.261 -178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 620' ' ' LEU . 50.2 Cg_exo -51.33 -38.12 61.86 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.511 2.141 . . . . 0.0 113.638 -173.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . . . . . . . . . . . -77.77 -23.15 49.3 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.953 0.406 . . . . 0.0 110.58 -174.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.23 63.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.389 0.614 . . . . 0.0 110.013 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 617' ' ' PRO . 4.7 mt -66.22 -25.44 66.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.588 -171.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -87.22 -6.25 58.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.356 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.539 ' OD1' ' HG2' ' A' ' 624' ' ' ARG . 14.5 t70 -95.23 155.31 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.51 0.672 . . . . 0.0 111.16 -172.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.462 ' HA ' ' OE1' ' A' ' 626' ' ' GLU . 38.5 ttm180 -58.08 -37.11 73.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.261 -1.336 . . . . 0.0 111.512 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.539 ' HG2' ' OD1' ' A' ' 622' ' ' ASP . 31.4 ptt180 -58.24 -41.36 84.01 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.855 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . . . . . . . . . 77.1 mmm -67.34 -39.56 85.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.45 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.462 ' OE1' ' HA ' ' A' ' 623' ' ' ARG . 50.3 mt-10 -54.74 -40.49 69.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.683 -176.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -62.03 -37.46 84.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.732 0.301 . . . . 0.0 110.539 179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 18.1 tp -61.0 -44.48 97.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.228 176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.08 -38.2 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -65.25 -40.29 93.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.266 0.555 . . . . 0.0 109.996 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -61.02 -43.14 99.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.246 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.47 95.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.053 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.91 -47.41 83.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.323 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -64.58 -45.66 86.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.027 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.4 -47.86 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 176.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.71 -39.06 87.17 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.208 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -63.7 -39.3 97.36 Favored Glycine 0 C--O 1.235 0.181 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.548 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.41 -39.95 85.11 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 652' ' ' LEU . 21.6 mmt -59.23 -44.13 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.009 -174.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -56.73 -39.79 74.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.253 -170.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -64.53 -40.62 95.95 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -175.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 3.8 p -94.47 -29.05 15.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.039 0.447 . . . . 0.0 111.0 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.3 -67.53 0.46 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.784 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 64.0 t30 48.04 25.76 0.86 Allowed 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.536 0.523 . . . . 0.0 112.12 -174.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 7.7 m -153.47 147.65 25.73 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -64.8 -47.09 79.35 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -174.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.13 -45.64 80.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.594 0.235 . . . . 0.0 110.984 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -64.12 -37.53 87.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -56.65 -49.29 75.45 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.57 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' C' ' 142' ' ' SER . 64.5 t80 -64.97 -40.48 95.05 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.354 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.419 ' HD2' HD11 ' C' ' 138' ' ' LEU . 36.6 m170 -61.29 -40.96 96.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.321 -177.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . 0.435 ' HB3' ' SD ' ' A' ' 639' ' ' MET . 54.5 mt -65.78 -39.54 91.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.493 177.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.438 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . 0.422 ' HA ' HG12 ' A' ' 657' ' ' ILE . . . -58.12 -40.76 82.05 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-O 121.413 0.625 . . . . 0.0 109.997 176.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.545 ' OE1' HD21 ' C' ' 128' ' ' LEU . 12.6 tp10 -61.48 -42.1 98.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.347 176.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.98 -48.94 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.441 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 654' ' ' ALA . 37.6 pt -63.37 -40.99 91.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.131 -174.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -65.15 -38.83 91.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.209 0.458 . . . . 0.0 110.938 174.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 659' ' ' LYS . 0.0 OUTLIER -57.86 -44.31 86.52 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.807 179.056 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.628 HG12 HD11 ' B' ' 845' ' ' LEU . 59.2 mt -64.46 -51.52 66.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.273 0.559 . . . . 0.0 110.432 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . 0.511 ' HA ' HD12 ' A' ' 664' ' ' LEU . 8.5 tt0 -55.37 -41.04 72.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.146 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -57.01 -49.11 76.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.824 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.08 -39.55 93.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.472 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 661' ' ' GLN . 85.5 mt -54.2 -49.19 69.97 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.283 0.563 . . . . 0.0 109.879 176.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -66.39 -46.96 74.88 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.121 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -41.54 87.51 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.578 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.42 ' HD3' ' HG ' ' B' ' 854' ' ' LEU . 58.4 tttp -62.95 -42.31 99.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 111.202 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -77.76 -32.43 52.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.142 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -71.53 -40.87 69.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.278 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 671' ' ' ARG . 64.2 p -92.25 -20.49 21.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.664 0.269 . . . . 0.0 111.153 -174.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 670' ' ' SER . 20.0 tpt180 70.17 133.74 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.314 -174.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 672' ' ' LEU . 2.6 pt? . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.361 -0.828 . . . . 0.0 110.564 179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.233 0.22 0 CA-C-O 121.494 0.664 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -77.86 120.51 22.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.282 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 97.77 156.08 30.01 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.64 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.56 36.58 1.61 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.814 0.34 . . . . 0.0 111.068 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.6 mt -112.63 152.33 14.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.927 -175.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.628 HD11 HG12 ' A' ' 660' ' ' ILE . 3.6 mp -93.97 143.73 26.95 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 111.787 -170.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 845' ' ' LEU . 21.9 Cg_exo -65.48 154.7 72.5 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.6 2.2 . . . . 0.0 111.699 174.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 22.9 t -55.17 -49.99 70.45 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -171.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -54.96 -44.55 74.45 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -172.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 14.2 mm -64.22 -43.75 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.17 0.51 . . . . 0.0 109.977 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.5 ' HA ' ' CE ' ' B' ' 850' ' ' MET . 12.2 mmt -65.47 -40.42 93.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.972 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -59.15 -39.73 83.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.647 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.403 ' CE1' ' HD2' ' A' ' 624' ' ' ARG . 10.7 t80 -60.28 -50.5 73.4 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.265 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . . . . . . . . . 14.8 p -66.77 -43.67 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.719 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.42 ' HG ' ' HD3' ' A' ' 667' ' ' LYS . 4.0 mm? -64.91 -38.56 91.39 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.494 0.188 . . . . 0.0 111.371 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -69.68 -10.97 60.36 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.189 0.519 . . . . 0.0 110.797 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . 0.537 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 56.4 t30 -107.9 151.19 26.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 23.0 m -103.4 97.9 11.25 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 5.0 Cg_exo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.77 2.313 . . . . 0.0 111.571 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.883 0.373 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.6 m -68.12 -26.43 65.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.658 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 69.1 t -77.2 -50.12 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.486 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 31.1 p -72.71 -3.56 25.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 18.9 t70 -54.68 -41.66 70.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.71 173.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 34.8 t -61.27 -47.07 87.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.136 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.08 -47.97 78.01 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.047 0.451 . . . . 0.0 110.876 -177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' C' ' 120' ' ' ASP . 14.1 ptmt -62.29 -40.94 97.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.01 -177.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.454 ' O ' HG12 ' C' ' 127' ' ' ILE . 1.2 tpp85 -62.69 -46.27 88.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.373 176.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -56.73 -38.33 72.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.889 -173.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -56.35 -39.69 73.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.707 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.726 HG12 HD22 ' C' ' 128' ' ' LEU . 0.8 OUTLIER -64.49 -37.97 81.39 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.183 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.726 HD22 HG12 ' C' ' 127' ' ' ILE . 3.9 mm? -63.29 -41.51 98.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -176.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 22.9 t -57.75 -16.4 11.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.17 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -119.8 30.38 7.07 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.458 0.647 . . . . 0.0 110.176 177.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.722 ' HG2' ' O ' ' C' ' 127' ' ' ILE . 4.0 mmp_? -113.54 100.86 52.88 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.659 -0.496 . . . . 0.0 109.659 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.51 -41.38 65.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.576 2.184 . . . . 0.0 112.133 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.646 ' CD1' HD12 ' C' ' 128' ' ' LEU . 58.4 t80 -60.79 -44.7 96.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.953 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -59.16 -41.76 89.17 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.354 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.75 -54.97 20.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.03 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' C' ' 141' ' ' LEU . 45.9 pt -67.94 -27.44 37.66 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.612 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.975 -174.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.477 HD12 ' CE2' ' A' ' 650' ' ' TYR . 18.7 tp -58.28 -50.16 74.58 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.557 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -69.09 -51.51 37.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.155 0.502 . . . . 0.0 111.779 174.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.23 -47.94 72.19 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -172.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' C' ' 137' ' ' ILE . 37.1 tp -65.2 -40.99 94.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.026 -0.533 . . . . 0.0 112.247 -169.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 650' ' ' TYR . 3.7 p -67.1 -33.82 76.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 119.018 -0.515 . . . . 0.0 111.645 -171.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 22.5 m 32.19 38.06 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . . . . . . . . . 38.4 t70 66.12 73.55 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.446 ' HB1' HD11 ' A' ' 599' ' ' LEU . . . -36.08 112.08 0.5 Allowed Pre-proline 0 N--CA 1.478 0.926 0 O-C-N 124.221 0.951 . . . . 0.0 111.788 -176.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . 0.47 ' O ' ' HA ' ' A' ' 599' ' ' LEU . 37.0 Cg_endo -65.78 127.03 17.02 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.024 2.483 . . . . 0.0 112.822 -176.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' ' 599' ' ' LEU . . . 129.52 91.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.634 177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.556 ' HB ' ' HD3' ' C' ' 149' ' ' PRO . 4.1 t -148.03 -51.62 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 122.701 -0.294 . . . . 0.0 110.712 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . 0.556 ' HD3' ' HB ' ' C' ' 148' ' ' VAL . 3.7 Cg_exo . . . . . 0 C--O 1.25 1.113 0 C-N-CA 122.309 2.006 . . . . 0.0 111.587 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.773 0 N-CA-C 111.579 -0.609 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . 0.515 ' O ' ' HG2' ' A' ' 588' ' ' ARG . 12.2 t -87.76 78.76 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 176.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.59 ' C ' ' HD2' ' A' ' 589' ' ' LYS . 20.8 mmm180 -167.08 61.12 0.08 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.601 -171.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.59 ' HD2' ' C ' ' A' ' 588' ' ' ARG . 2.2 mptm? -145.49 157.43 44.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 -166.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . 133.46 -32.1 2.77 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.27 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -52.99 -61.36 2.35 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.892 0.877 . . . . 0.0 113.105 -173.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -63.99 0.64 0.84 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -88.39 -33.51 17.89 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.711 175.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -93.91 -12.04 29.72 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.46 124.62 66.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 174.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . . . . . . . . . 77.2 p -85.05 153.68 22.57 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.973 -171.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -38.13 87.69 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -56.12 -49.96 72.42 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.7 177.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.93 -45.02 91.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.427 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.58 ' O ' HG23 ' A' ' 604' ' ' VAL . 80.2 mtp180 -63.17 -48.5 78.15 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.105 -179.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.4 t -57.34 -39.81 76.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.571 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -64.05 -40.69 96.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.021 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 603' ' ' LEU . 19.7 mt -65.61 -44.94 85.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.043 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.2 t -57.73 -43.91 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-O 120.978 0.418 . . . . 0.0 109.943 175.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.413 ' O ' ' HG2' ' A' ' 609' ' ' GLN . 25.4 m80 -62.69 -42.57 99.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 177.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.738 ' HD3' HD11 ' C' ' 141' ' ' LEU . 67.6 mttm -60.03 -38.93 84.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.085 177.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -47.62 76.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 176.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.73 -44.36 96.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.281 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 605' ' ' HIS . 15.1 mm100 -58.41 -38.02 76.52 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.834 0.349 . . . . 0.0 111.625 -176.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.31 90.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.466 0.651 . . . . 0.0 110.373 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . . . . . . . . . 36.3 mt -84.28 -29.22 7.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.223 -177.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.2 87.5 33.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.768 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -61.07 -34.64 89.68 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 122.452 2.102 . . . . 0.0 112.394 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 22.3 p -124.72 77.32 64.62 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.957 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.09 151.13 49.31 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.018 1.812 . . . . 0.0 111.72 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -111.4 133.81 21.33 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.32 -28.51 53.35 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.454 2.77 . . . . 0.0 114.1 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -89.75 -12.41 39.42 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 122.182 -0.324 . . . . 0.0 111.478 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.18 67.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.027 0.441 . . . . 0.0 110.786 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.9 mt -54.64 -22.01 12.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.0 OUTLIER -80.8 -22.49 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.956 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.17 148.25 50.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.515 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 623' ' ' ARG . 34.9 ttt180 -64.61 -40.79 96.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.362 -173.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -64.55 -47.6 78.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.711 0.291 . . . . 0.0 110.526 -176.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.447 ' O ' ' HB3' ' A' ' 628' ' ' LEU . 0.0 OUTLIER -64.19 -40.81 96.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 0.0 109.795 176.536 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -56.01 -40.78 73.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.75 175.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.23 -38.35 86.33 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . 0.447 ' HB3' ' O ' ' A' ' 625' ' ' MET . 41.7 tp -60.79 -50.7 72.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.481 177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.35 -37.96 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.394 176.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.28 94.74 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.312 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.408 ' O ' HG23 ' A' ' 635' ' ' VAL . 66.3 t80 -58.19 -44.25 87.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.454 177.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.79 96.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.217 0.532 . . . . 0.0 109.883 -179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -63.25 -46.79 85.23 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.845 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -64.9 -43.86 91.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.458 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 631' ' ' TYR . 60.6 t -58.54 -42.53 84.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.598 177.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' A' ' 600' ' ' ARG . 4.2 tp10 -54.56 -42.79 71.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.991 176.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -66.8 -51.27 41.84 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.114 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -65.8 -38.3 88.59 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.039 0.447 . . . . 0.0 110.938 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . . . . . . . . . 44.5 tpp -62.74 -49.58 74.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.767 -175.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -55.17 -39.65 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.163 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.81 -39.76 91.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.422 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 4.2 p -85.81 -49.74 7.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.482 -176.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -50.62 -68.56 0.16 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.664 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.28 13.45 5.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.518 0.675 . . . . 0.0 111.324 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 17.1 m -153.6 150.92 29.15 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 174.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -65.54 -46.44 79.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.62 0.248 . . . . 0.0 111.301 -176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -64.29 -45.06 89.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.307 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -64.27 -37.86 88.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.506 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -58.81 -49.37 77.97 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.095 178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.745 ' OH ' ' HB3' ' C' ' 141' ' ' LEU . 62.8 t80 -66.87 -45.71 77.26 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.467 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -61.58 -44.67 96.6 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.175 -174.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.55 -40.78 96.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.723 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.407 ' CD1' HD13 ' A' ' 603' ' ' LEU . 50.2 mt -66.72 -43.78 83.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.09 178.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.54 99.71 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -65.35 -40.58 93.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.53 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -64.27 -50.23 68.73 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.958 -175.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 32.4 pt -66.02 -40.21 86.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.217 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -66.35 -44.83 82.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.829 0.286 . . . . 0.0 110.848 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . 0.699 ' HZ2' ' HB2' ' A' ' 659' ' ' LYS . 4.9 ttmp? -54.15 -50.75 66.24 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 0.923 HG21 HD12 ' B' ' 845' ' ' LEU . 17.4 mt -70.42 -46.6 70.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 0.0 110.751 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -55.25 -40.49 70.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.982 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.52 -43.89 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.264 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -64.14 -41.74 97.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.269 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.591 ' O ' ' HG3' ' A' ' 667' ' ' LYS . 94.9 mt -58.73 -40.08 82.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.301 177.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -65.99 -50.83 62.88 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.76 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.2 -40.51 96.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.238 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 664' ' ' LEU . 0.0 OUTLIER -62.37 -35.02 77.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.809 0.338 . . . . 0.0 110.31 178.112 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -65.86 -16.05 63.47 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.967 -177.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' A' ' 669' ' ' ARG . 6.1 mmp_? -75.07 -18.05 60.36 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.048 0.451 . . . . 0.0 110.259 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 17.4 m -98.03 12.58 33.84 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.59 ' HA ' ' NE ' ' A' ' 671' ' ' ARG . 0.0 OUTLIER 92.97 144.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 113.973 -1.467 . . . . 0.0 109.139 178.421 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--O 1.249 1.041 0 O-C-N 123.415 0.447 . . . . 0.0 111.577 -174.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -93.31 12.72 23.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.18 0.514 . . . . 0.0 110.354 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 93.3 87.85 1.6 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.984 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' B' ' 843' ' ' ASN . 0.8 OUTLIER -65.81 -31.7 72.81 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.693 0.282 . . . . 0.0 110.748 -178.845 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . . . . . . . . . 3.1 mt -106.92 148.7 11.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.178 -173.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.923 HD12 HG21 ' A' ' 660' ' ' ILE . 4.2 mt -78.19 128.57 77.95 Favored Pre-proline 0 C--O 1.233 0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.056 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.67 175.0 11.69 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.892 2.394 . . . . 0.0 113.185 -177.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 15.1 m -55.47 -45.09 76.96 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -172.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.91 -49.13 69.31 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -173.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 24.0 mm -64.81 -40.48 89.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.066 0.46 . . . . 0.0 110.472 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . 0.443 ' SD ' HD21 ' A' ' 664' ' ' LEU . 9.3 mmt -64.47 -40.72 96.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.578 -178.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.2 -43.93 97.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.427 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -63.1 -45.01 94.1 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -173.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.531 HG13 HD22 ' B' ' 854' ' ' LEU . 7.9 p -64.22 -41.36 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.011 -176.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . 0.531 HD22 HG13 ' B' ' 853' ' ' VAL . 4.5 mm? -66.11 -38.4 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.55 0.214 . . . . 0.0 111.098 175.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -88.44 26.75 1.38 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.689 0.756 . . . . 0.0 110.512 -175.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . 0.488 ' O ' ' HD3' ' B' ' 858' ' ' PRO . 6.7 t30 -131.05 128.65 40.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.744 177.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 29.5 m -98.81 101.95 13.6 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' B' ' 856' ' ' ASN . 13.4 Cg_endo . . . . . 0 N--CA 1.451 -1.012 0 C-N-CA 123.241 2.628 . . . . 0.0 112.005 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t70 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.967 0.413 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 1.7 m -64.1 -33.19 75.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.713 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 99.4 t -68.06 -49.54 67.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.195 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 73.7 p -76.86 33.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.859 -0.61 . . . . 0.0 112.097 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.49 ' O ' ' HG2' ' C' ' 123' ' ' LYS . 34.3 t70 -63.1 -44.63 95.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.094 0.473 . . . . 0.0 110.721 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . . . . . . . . . 22.8 t -60.76 -48.91 79.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.562 178.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -57.59 -48.0 80.58 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.555 ' O ' HG23 ' C' ' 127' ' ' ILE . 15.4 ptpt -59.42 -42.16 91.18 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.245 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' C' ' 123' ' ' LYS . 79.1 ttt180 -53.56 -49.14 68.33 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.612 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -64.31 -43.45 94.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.02 0.438 . . . . 0.0 110.494 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.67 -42.44 71.36 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.601 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.706 ' O ' ' HB2' ' C' ' 131' ' ' ARG . 1.2 pt -65.11 -42.43 94.37 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.276 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.55 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.646 HD22 HG12 ' C' ' 127' ' ' ILE . 2.4 mm? -64.56 -46.43 82.83 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.583 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 19.6 m -57.62 -20.9 36.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' C' ' 130' ' ' ARG . 23.0 ttp85 -147.19 47.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.462 0.649 . . . . 0.0 111.069 -174.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.706 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 4.9 ttt180 -113.72 115.48 46.35 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 121.86 -0.525 . . . . 0.0 111.169 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -45.3 -67.76 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.944 3.096 . . . . 0.0 114.754 -171.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . 0.401 ' O ' ' HB3' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.441 ' HB3' ' HB3' ' C' ' 131' ' ' ARG . 66.5 t80 -62.2 -47.51 84.14 Favored 'General case' 0 C--O 1.22 -0.451 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -60.99 -41.08 95.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.387 176.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' C' ' 133' ' ' SEP . 23.2 ttmm -51.42 -57.7 8.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.956 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 34.7 pt -71.47 -37.4 64.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.832 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.586 HD12 ' HE2' ' A' ' 650' ' ' TYR . 42.3 tp -53.52 -48.68 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.43 0.292 . . . . 0.0 111.585 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -64.33 -53.21 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.891 -177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.63 -48.0 68.02 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.384 0.612 . . . . 0.0 112.01 -177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.745 ' HB3' ' OH ' ' A' ' 650' ' ' TYR . 15.4 tp -60.98 -39.58 90.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.805 -175.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . 0.426 ' C ' ' H ' ' C' ' 144' ' ' ASP . 92.3 p -80.53 -1.99 44.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.738 -176.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 69.5 m -76.62 37.87 0.18 Allowed 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' C' ' 142' ' ' SER . 23.4 t70 81.98 33.36 0.09 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.782 0.833 . . . . 0.0 109.466 173.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . 36.08 95.25 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.438 0 CA-C-N 114.99 -1.005 . . . . 0.0 112.907 -167.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -63.58 125.35 15.37 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 121.532 1.488 . . . . 0.0 112.211 -175.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . 0.5 ' O ' ' HB ' ' C' ' 148' ' ' VAL . . . -178.5 -82.25 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.567 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.4 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' C' ' 147' ' ' GLY . 2.7 t 72.08 117.98 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.27 0 CA-C-O 120.767 0.318 . . . . 0.0 110.502 -176.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.253 1.241 0 C-N-CA 123.201 2.601 . . . . 0.0 112.61 -178.189 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.741 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 588' ' ' ARG . 14.3 t -84.66 69.08 0.62 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.965 0.888 . . . . 0.0 109.072 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 587' ' ' VAL . 3.1 tmt_? 171.71 92.69 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 113.761 -1.563 . . . . 0.0 107.269 -174.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -155.67 121.47 5.02 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 -175.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' GLY . . . . . . . . . . . . . . . -142.52 26.81 2.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 119.902 -1.142 . . . . 0.0 112.972 -178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.26 -62.22 1.68 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.195 0.521 . . . . 0.0 111.563 -176.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' HIS . . . . . 0.444 ' O ' HG23 ' A' ' 596' ' ' THR . 59.4 m80 -86.68 -9.3 56.28 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.856 -176.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -59.22 -14.4 10.74 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -177.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -96.05 -19.64 19.29 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' VAL . . . . . . . . . . . . . 25.7 t -152.25 82.78 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.367 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.626 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 592' ' ' HIS . 9.9 p -99.87 152.62 19.94 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 119.886 -0.726 . . . . 0.0 112.152 172.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -65.28 -36.6 84.61 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.009 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ASP . . . . . 0.442 ' OD2' ' HB2' ' C' ' 146' ' ' PRO . 22.9 t70 -55.88 -45.95 78.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.462 178.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.52 ' CD1' ' HB1' ' C' ' 145' ' ' ALA . 49.5 tp -55.96 -49.63 73.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.596 176.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 604' ' ' VAL . 76.5 mtp180 -65.73 -46.49 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.626 -178.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 31.2 t -55.87 -39.81 72.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.381 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' C' ' 146' ' ' PRO . 14.1 m-70 -65.69 -39.91 91.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.448 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.454 HD23 ' HD2' ' A' ' 606' ' ' LYS . 20.5 mt -65.95 -42.91 89.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.528 179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 600' ' ' ARG . 2.6 t -62.41 -40.57 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-O 121.122 0.487 . . . . 0.0 109.862 174.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -58.97 -40.81 85.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . 0.719 ' HD3' HD11 ' C' ' 141' ' ' LEU . 68.8 mttm -64.34 -37.55 87.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.194 175.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -41.98 95.29 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.06 -46.95 95.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.838 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -55.98 -38.27 70.2 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.556 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ALA . . . . . . . . . . . . . . . -60.03 -37.11 78.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.619 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' ILE . . . . . 0.492 HG23 ' ND2' ' B' ' 843' ' ' ASN . 41.4 mt -83.27 -37.82 13.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.625 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -152.19 117.98 3.07 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.966 -171.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -66.74 -43.62 7.0 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 123.165 2.576 . . . . 0.0 115.661 -172.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' THR . . . . . . . . . . . . . 6.1 t -170.7 117.14 0.47 Allowed Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 118.827 0.74 . . . . 0.0 112.645 -175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -88.74 158.14 6.21 Favored 'Trans proline' 0 N--CA 1.478 0.575 0 C-N-CA 124.211 3.274 . . . . 0.0 114.65 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -89.79 165.93 22.81 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.596 168.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -51.72 -35.21 57.21 Favored 'Trans proline' 0 CA--C 1.536 0.598 0 C-N-CA 122.475 2.117 . . . . 0.0 114.331 -175.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 621' ' ' LYS . . . -80.7 -14.19 58.34 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 121.996 -0.44 . . . . 0.0 111.867 -171.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' ALA . . . . . . . . . . . . . . . -72.88 -30.23 63.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.05 0.928 . . . . 0.0 110.395 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 6.7 mt -78.95 -16.33 57.1 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.974 -1.466 . . . . 0.0 112.431 -172.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 618' ' ' ALA . 0.1 OUTLIER -90.11 -9.08 49.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.072 0.463 . . . . 0.0 111.412 -173.652 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' ASP . . . . . 0.48 ' OD2' ' HB3' ' A' ' 624' ' ' ARG . 28.0 t70 -76.23 136.78 39.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.955 -175.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -61.61 -37.84 85.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.141 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' ARG . . . . . 0.48 ' HB3' ' OD2' ' A' ' 622' ' ' ASP . 5.6 tpp180 -56.87 -32.81 66.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 -178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' MET . . . . . 0.632 ' HA ' ' CZ ' ' B' ' 852' ' ' PHE . 2.0 tmt? -49.15 -36.57 19.67 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.641 1.176 . . . . 0.0 112.68 -172.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.17 -38.12 50.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.438 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -55.12 -40.77 70.89 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -174.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.15 -48.74 72.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.828 -178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.44 -39.16 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.177 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.48 94.38 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.471 0.653 . . . . 0.0 109.392 -178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' TYR . . . . . 0.427 ' O ' HG23 ' A' ' 635' ' ' VAL . 51.9 t80 -63.79 -43.54 96.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.626 177.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.31 94.22 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.261 -174.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -49.64 69.73 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.087 0.47 . . . . 0.0 110.384 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -55.4 -47.09 76.43 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.197 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' A' ' 639' ' ' MET . 67.8 t -56.85 -48.29 81.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.08 174.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -55.87 -40.81 73.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.53 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' GLY . . . . . . . . . . . . . . . -59.42 -42.11 97.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.001 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.43 -38.22 89.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.091 0.472 . . . . 0.0 110.614 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' A' ' 635' ' ' VAL . 22.7 mmt -63.83 -48.89 74.99 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.349 -175.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -58.63 -39.34 80.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.2 -178.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -66.0 -40.88 91.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.139 -177.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' SER . . . . . . . . . . . . . 5.6 p -97.61 -21.75 16.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' ALA . . . . . . . . . . . . . . . -56.09 -57.49 11.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' ASN . . . . . . . . . . . . . 9.7 t30 72.88 -22.54 0.22 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.387 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 23.4 m -147.69 152.61 38.1 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' ARG . . . . . . . . . . . . . 53.1 ttt180 -64.96 -41.97 94.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.604 0.24 . . . . 0.0 111.531 -176.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.88 -46.29 90.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.65 0.262 . . . . 0.0 110.728 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -64.14 -37.67 88.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.082 0.468 . . . . 0.0 110.117 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -55.45 -47.9 75.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.664 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' TYR . . . . . 0.882 ' OH ' ' HA ' ' C' ' 138' ' ' LEU . 89.4 t80 -64.29 -41.13 97.02 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.991 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.441 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 45.0 m170 -57.3 -49.46 76.03 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.821 0.344 . . . . 0.0 111.221 -177.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.04 -48.28 79.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.027 -170.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' LEU . . . . . 0.443 HD21 ' HG3' ' A' ' 639' ' ' MET . 79.2 mt -66.38 -41.44 89.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.647 178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' ALA . . . . . . . . . . . . . . . -61.4 -46.93 88.1 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.719 0.295 . . . . 0.0 110.985 -178.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 651' ' ' HIS . 9.9 mm-40 -64.21 -39.98 95.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.65 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -64.37 -50.32 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.503 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' ILE . . . . . . . . . . . . . 31.8 pt -65.18 -37.54 80.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.452 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . 0.401 ' HE1' ' HB3' ' C' ' 133' ' ' SEP . 79.9 t80 -65.2 -48.91 71.73 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.468 -176.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -55.83 -50.01 71.71 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.271 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' ILE . . . . . 1.057 HG23 HG23 ' B' ' 844' ' ' ILE . 10.5 mt -67.96 -49.1 71.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.129 -0.628 . . . . 0.0 110.18 -174.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -54.99 -46.44 75.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.267 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -64.41 -40.09 95.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.356 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' GLU . . . . . 0.558 ' OE2' HG22 ' B' ' 844' ' ' ILE . 35.6 tt0 -65.04 -42.03 94.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.931 0.396 . . . . 0.0 110.343 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' B' ' 843' ' ' ASN . 96.8 mt -62.13 -39.07 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.223 176.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 669' ' ' ARG . 8.7 tp10 -60.11 -49.24 78.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.295 177.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 663' ' ' GLU . 0.2 OUTLIER -62.07 -39.42 92.34 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.17 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -58.78 -40.54 84.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.868 176.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' ARG . . . . . 0.464 ' HD3' ' O ' ' A' ' 668' ' ' ARG . 2.1 tmt_? -75.4 -31.87 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 -179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 665' ' ' GLU . 67.9 mtp180 -66.06 -19.31 65.81 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 178.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' SER . . . . . . . . . . . . . 28.0 t -84.62 8.65 16.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.675 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -143.7 130.45 20.31 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.478 177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.743 -0.646 . . . . 0.0 110.428 179.723 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 840' ' ' ASP . . . . . 0.462 ' HA ' ' HG ' ' B' ' 845' ' ' LEU . 1.6 m-20 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.055 0.455 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 841' ' ' ALA . . . . . . . . . . . . . . . -137.47 95.18 3.03 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -175.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 842' ' ' GLY . . . . . . . . . . . . . . . 72.99 -83.18 0.61 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.985 -0.552 . . . . 0.0 113.903 167.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 843' ' ' ASN . . . . . 0.585 ' HB3' HD11 ' A' ' 664' ' ' LEU . 0.7 OUTLIER -119.25 11.45 12.29 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 172.308 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 844' ' ' ILE . . . . . 1.057 HG23 HG23 ' A' ' 660' ' ' ILE . 14.5 pt -114.94 97.43 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 165.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 845' ' ' LEU . . . . . 0.577 ' HB3' ' HD2' ' B' ' 846' ' ' PRO . 3.8 mp -155.93 -172.26 0.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 846' ' ' PRO . . . . . 0.577 ' HD2' ' HB3' ' B' ' 845' ' ' LEU . 26.7 Cg_exo -67.53 -155.42 0.03 OUTLIER 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 121.74 1.626 . . . . 0.0 111.634 156.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 847' ' ' SER . . . . . . . . . . . . . 7.4 t -67.58 -43.16 81.23 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -169.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 848' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.3 -55.31 32.89 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -156.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 849' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.96 -38.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.159 -178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 850' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -44.9 71.89 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.986 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 851' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -55.91 -39.99 72.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.182 -178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 852' ' ' PHE . . . . . 0.632 ' CZ ' ' HA ' ' A' ' 625' ' ' MET . 14.8 t80 -65.23 -52.85 51.96 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.181 -0.207 . . . . 0.0 111.475 -176.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 853' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 611' ' ' ILE . 9.5 p -67.3 -39.29 82.54 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.373 -177.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 854' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.79 -37.17 85.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.221 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -61.59 -30.89 70.97 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.793 0.33 . . . . 0.0 110.93 -177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 856' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -93.15 129.2 39.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.059 0.457 . . . . 0.0 110.302 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 857' ' ' THR . . . . . . . . . . . . . 21.0 m -111.24 109.74 56.52 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.94 -178.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 858' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo . . . . . 0 C--O 1.249 1.028 0 C-N-CA 122.841 2.361 . . . . 0.0 111.43 176.313 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.807 0.336 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' SER . . . . . . . . . . . . . 2.8 m -67.14 -32.78 74.13 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.954 178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.26 -46.79 89.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.305 0.574 . . . . 0.0 109.727 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' THR . . . . . . . . . . . . . 71.6 p -80.14 43.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.883 177.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' C' ' 123' ' ' LYS . 28.9 t70 -58.71 -45.59 89.22 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.136 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' SER . . . . . 0.444 ' HB3' ' NE2' ' C' ' 122' ' ' GLN . 28.1 t -57.65 -48.89 78.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.082 177.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' C' ' 121' ' ' SER . 1.8 mp0 -62.0 -40.73 96.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.992 0.425 . . . . 0.0 110.368 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . 0.499 ' O ' HG23 ' C' ' 127' ' ' ILE . 61.6 tttp -55.98 -47.03 78.44 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.895 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' ARG . . . . . 0.731 ' O ' HG12 ' C' ' 127' ' ' ILE . 75.9 ttt180 -55.47 -47.26 76.38 Favored 'General case' 0 C--O 1.22 -0.49 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.368 175.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' C' ' 125' ' ' ARG . 0.2 OUTLIER -57.71 -45.21 86.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.093 0.473 . . . . 0.0 110.153 -177.319 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.78 -39.41 74.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.594 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . 0.731 HG12 ' O ' ' C' ' 124' ' ' ARG . 5.5 pt -60.57 -40.17 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.811 -174.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -57.82 -41.55 82.45 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.175 0.512 . . . . 0.0 110.447 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 47.1 m -56.86 -27.05 59.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.251 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 130' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' C' ' 132' ' ' PRO . 0.2 OUTLIER -136.72 45.43 2.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.436 0.636 . . . . 0.0 109.616 176.055 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 131' ' ' ARG . . . . . 0.629 ' HB2' ' O ' ' C' ' 127' ' ' ILE . 0.3 OUTLIER -105.51 101.61 32.91 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.82 -178.713 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' C' ' 130' ' ' ARG . 53.6 Cg_exo -53.54 -40.51 78.7 Favored 'Trans proline' 0 N--CA 1.473 0.302 0 C-N-CA 123.571 2.848 . . . . 0.0 114.057 -174.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 133' ' ' SEP . . . . . 0.404 ' O ' ' HB3' ' C' ' 136' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 134' ' ' TYR . . . . . 0.627 ' O ' ' HG ' ' C' ' 138' ' ' LEU . 66.4 t80 -61.91 -42.16 98.76 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 135' ' ' ARG . . . . . 0.536 ' HA ' HD12 ' C' ' 138' ' ' LEU . 29.1 tpt180 -60.33 -42.14 95.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.45 174.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 136' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' C' ' 133' ' ' SEP . 38.2 ttpt -54.51 -47.25 73.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.82 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 137' ' ' ILE . . . . . . . . . . . . . 43.3 pt -78.07 -29.49 15.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.85 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.985 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 138' ' ' LEU . . . . . 0.882 ' HA ' ' OH ' ' A' ' 650' ' ' TYR . 87.0 mt -54.74 -50.43 68.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.268 0.556 . . . . 0.0 110.289 173.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 139' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -63.77 -51.57 64.26 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.922 -1.036 . . . . 0.0 111.564 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 140' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.39 -50.65 58.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 141' ' ' LEU . . . . . 0.719 HD11 ' HD3' ' A' ' 606' ' ' LYS . 12.8 tp -65.68 -46.78 77.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.209 -167.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 76.7 p -75.87 -25.74 56.43 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.772 0.32 . . . . 0.0 111.258 -173.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 143' ' ' SER . . . . . . . . . . . . . 18.5 m -81.42 -7.76 59.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.127 0.489 . . . . 0.0 110.569 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 144' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' C' ' 146' ' ' PRO . 34.1 t70 -113.57 37.97 3.07 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.437 0.637 . . . . 0.0 109.868 176.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' A' ' 599' ' ' LEU . . . -107.76 95.58 14.86 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.649 174.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 146' ' ' PRO . . . . . 0.541 ' HG2' ' CE1' ' A' ' 602' ' ' HIS . 28.3 Cg_exo -64.69 158.45 50.34 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 123.675 2.916 . . . . 0.0 112.732 175.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 147' ' ' GLY . . . . . . . . . . . . . . . 179.61 77.1 0.06 OUTLIER Glycine 0 C--N 1.323 -0.168 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.345 -176.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 148' ' ' VAL . . . . . 0.514 ' H ' ' CD ' ' C' ' 149' ' ' PRO . 5.1 t -150.18 -50.94 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.492 0 CA-C-O 119.565 -0.255 . . . . 0.0 111.261 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 149' ' ' PRO . . . . . 0.514 ' CD ' ' H ' ' C' ' 148' ' ' VAL . 10.1 Cg_exo . . . . . 0 C--O 1.252 1.191 0 C-N-CA 122.381 2.054 . . . . 0.0 112.755 -178.614 . . . . . . . . 1 1 . 1 stop_ save_