data_1j4k_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 1j4k _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.474 -0.25 . . . . 4.0899999999999999 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -100.13 -22.55 15.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.307 . . . . 4.5 111.108 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' GLY . . . . . 0.508 ' HA2' ' OE1' ' A' ' 596' ' ' GLN . . . 140.65 -15.68 2.89 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.759 -0.734 . . . . 1.1100000000000001 112.49 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' ARG . . . . . 0.486 ' HA ' ' HA ' ' A' ' 595' ' ' GLN . 8.9 ttm180 -112.37 143.37 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.98 0.419 . . . . 1.8899999999999999 111.873 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' PHE . . . . . 0.505 ' HB2' ' HB3' ' A' ' 596' ' ' GLN . 3.5 t80 -116.08 -45.46 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.773 -0.649 . . . . 1.25 110.355 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' LEU . . . . . 0.436 ' CD1' HG12 ' A' ' 696' ' ' ILE . 8.3 tp -120.41 142.19 49.44 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.132 -0.486 . . . . 1.77 110.772 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.3 m -119.36 114.89 23.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 1.0900000000000001 111.167 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 592' ' ' LEU . 9.9 mt -102.39 108.22 19.48 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 106.765 -1.568 . . . . 1.6499999999999999 106.765 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.578 ' HA ' ' HA ' ' A' ' 591' ' ' SER . 14.8 ptpt -114.98 100.42 53.61 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 114.584 1.327 . . . . 2.3999999999999999 114.584 -176.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' PRO . . . . . 0.616 ' HD2' ' O ' ' A' ' 590' ' ' GLU . 42.9 Cg_exo -47.27 99.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 121.905 1.737 . . . . 0.23999999999999999 109.664 176.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 158.3 85.1 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 113.396 0.887 . . . . 1.3100000000000001 113.396 -176.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.53 -25.26 10.48 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.71 2.94 . . . . 0.92000000000000004 112.693 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -61.91 -27.87 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.011 -0.737 . . . . 1.6699999999999999 109.011 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' SER . . . . . 0.407 ' HB2' ' N ' ' A' ' 691' ' ' GLY . 8.5 t -95.58 154.03 17.41 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.143 -0.935 . . . . 0.87 109.744 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' ILE . . . . . 0.463 ' CD1' ' CE1' ' A' ' 688' ' ' PHE . 3.8 pt -56.74 -11.54 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.648 -0.251 . . . . 1.71 111.082 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ILE . . . . . . . . . . . . . 16.3 mt -109.67 123.9 65.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.816 0.341 . . . . 1.8500000000000001 111.665 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.11 56.15 0.62 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.205 0.526 . . . . 1.4299999999999999 110.19 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' GLU . . . . . 0.616 ' O ' ' HD2' ' A' ' 582' ' ' PRO . 1.2 mt-10 -124.54 171.57 9.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.726 . . . . 2.0099999999999998 111.109 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' SER . . . . . 0.578 ' HA ' ' HA ' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -127.68 131.99 49.72 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.068 0.461 . . . . 1.1699999999999999 111.258 178.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 580' ' ' LEU . 0.2 OUTLIER -112.34 141.3 46.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.778 -0.646 . . . . 2.1600000000000001 110.093 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.419 ' HB3' ' HG3' ' A' ' 576' ' ' ARG . 0.9 OUTLIER -124.04 110.87 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.651 -0.25 . . . . 1.6899999999999999 111.485 -179.39 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' ILE . . . . . 0.502 HG12 ' CD1' ' A' ' 601' ' ' PHE . 68.3 mt -77.84 109.44 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 120.977 0.418 . . . . 1.0800000000000001 110.592 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' GLN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 576' ' ' ARG . 0.8 OUTLIER -66.51 115.75 6.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.968 -0.56 . . . . 2.4399999999999999 110.153 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' GLN . . . . . 0.508 ' OE1' ' HA2' ' A' ' 575' ' ' GLY . 0.0 OUTLIER -46.43 -27.17 1.0 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.961 0.41 . . . . 1.1299999999999999 110.945 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.2 78.74 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.908 -0.663 . . . . 0.23999999999999999 113.181 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' VAL . . . . . . . . . . . . . 40.8 t -97.88 118.81 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 117.441 0.621 . . . . 1.0900000000000001 111.306 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ASN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 600' ' ' PRO . 9.5 t30 -139.23 121.7 10.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.29999999999999999 109.954 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' PRO . . . . . 0.545 ' HB3' ' HB2' ' A' ' 626' ' ' PHE . 44.9 Cg_endo -90.22 160.42 33.29 Favored 'Cis proline' 0 C--N 1.345 0.369 0 C-N-CA 124.54 -1.025 . . . . 0.33000000000000002 111.584 -0.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 610' ' ' ASN . 3.9 t80 -91.16 115.79 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.238 -0.652 . . . . 0.27000000000000002 109.238 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' PHE . . . . . 0.479 ' CZ ' ' HG2' ' A' ' 600' ' ' PRO . 25.9 m-85 -92.34 138.11 31.79 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.729 -0.669 . . . . 0.45000000000000001 112.503 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' ILE . . . . . 0.522 HG13 ' HB3' ' A' ' 611' ' ' CYS . 3.8 mp -125.55 143.46 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.128 -0.942 . . . . 1.1599999999999999 110.346 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 167.64 -174.12 42.68 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 120.154 -1.022 . . . . 0.29999999999999999 113.493 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' ARG . . . . . 0.456 ' HG3' ' HA ' ' A' ' 614' ' ' GLU . 6.6 ttp85 -81.38 -4.12 54.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.715 -0.243 . . . . 2.1400000000000001 111.413 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.0 129.34 46.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.854 0.359 . . . . 1.5600000000000001 110.933 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -25.28 15.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 2.6699999999999999 111.081 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.57 -28.39 60.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 1.9199999999999999 110.776 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' CYS . . . . . . . . . . . . . 17.6 m -75.12 131.35 40.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.979 -0.555 . . . . 0.5 110.768 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 601' ' ' PHE . 33.7 m120 -45.64 -32.01 2.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.24 0.543 . . . . 1.52 110.344 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' CYS . . . . . 0.522 ' HB3' HG13 ' A' ' 603' ' ' ILE . 41.9 t -107.39 138.23 43.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.398 -0.819 . . . . 0.94999999999999996 109.495 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 111.91 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.701 0.63 . . . . 2.7200000000000002 112.701 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' ILE . . . . . 0.429 HG13 ' CE2' ' A' ' 692' ' ' PHE . 30.8 mm -137.82 109.73 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.285 -0.871 . . . . 1.1200000000000001 109.587 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . 0.456 ' HA ' ' HG3' ' A' ' 605' ' ' ARG . 32.4 mt-10 -87.79 104.1 16.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 119.981 -0.688 . . . . 2.5499999999999998 110.559 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' ASP . . . . . 0.476 ' HB3' HD13 ' A' ' 618' ' ' LEU . 0.2 OUTLIER -130.99 112.07 12.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.968 -1.015 . . . . 2.2000000000000002 109.308 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -42.17 -35.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 2.0600000000000001 111.638 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -77.63 -36.49 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 2.77 111.194 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 615' ' ' ASP . 0.3 OUTLIER -62.02 159.57 14.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 2.0 111.177 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.6 m -111.08 168.59 9.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 1.7 110.417 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -47.0 -50.49 19.07 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.162 0.506 . . . . 2.8500000000000001 110.191 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' VAL . . . . . . . . . . . . . 17.7 t -119.7 58.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.465 -0.789 . . . . 1.23 109.366 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' HIS . . . . . 0.522 ' CD2' ' CG2' ' A' ' 680' ' ' ILE . 24.2 t60 -48.63 -48.85 39.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.279 -0.873 . . . . 0.82999999999999996 111.724 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' CYS . . . . . . . . . . . . . 4.3 p -162.68 154.31 18.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.018 0.437 . . . . 1.3200000000000001 111.431 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' PHE . . . . . 0.47 ' CB ' ' HA ' ' A' ' 602' ' ' PHE . 40.5 p90 -143.21 147.18 34.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.742 -0.663 . . . . 1.4099999999999999 110.621 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' ILE . . . . . 0.461 ' CD1' ' CD1' ' A' ' 594' ' ' ILE . 86.0 mt -101.7 134.6 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 1.6699999999999999 109.764 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' PHE . . . . . 0.545 ' HB2' ' HB3' ' A' ' 600' ' ' PRO . 4.7 t80 -125.1 133.02 53.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.173 -0.467 . . . . 0.41999999999999998 110.754 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.442 ' HB2' HG21 ' A' ' 647' ' ' ILE . 30.8 ttmt -97.77 136.59 37.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.05 -0.523 . . . . 1.53 110.61 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 626' ' ' PHE . 0.0 OUTLIER -135.55 158.57 44.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.516 . . . . 2.3900000000000001 111.795 -178.684 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' ARG . . . . . 0.437 ' HA ' ' HA ' ' A' ' 645' ' ' ASP . 1.1 tpt180 -76.87 112.74 13.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.909 -0.587 . . . . 2.7799999999999998 110.399 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' HIS . . . . . 0.451 ' CD2' ' CB ' ' A' ' 641' ' ' ALA . 5.7 t60 -76.44 128.75 35.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.648 -0.705 . . . . 1.1000000000000001 110.981 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' ALA . . . . . . . . . . . . . . . -155.31 119.18 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 1.9299999999999999 111.052 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' VAL . . . . . . . . . . . . . 29.4 m -74.05 174.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 2.5600000000000001 111.13 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . -69.68 -45.28 59.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.696 -0.764 . . . . 2.8700000000000001 112.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -154.89 168.05 28.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 6.3499999999999996 110.916 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' SER . . . . . . . . . . . . . 7.8 p -132.51 83.42 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 2.7799999999999998 110.969 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' MET . . . . . . . . . . . . . 37.8 mtp -92.21 115.31 27.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 5.8300000000000001 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 69.39 -65.74 0.29 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 7.5 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.91 144.24 41.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 5.2199999999999998 110.918 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 16.1 m -99.19 99.84 9.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 4.0800000000000001 110.917 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -73.24 -162.72 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.482 2.122 . . . . 3.1499999999999999 112.316 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' ALA . . . . . 0.451 ' CB ' ' CD2' ' A' ' 630' ' ' HIS . . . -48.97 -26.22 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 2.2400000000000002 111.708 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 76.96 -70.79 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.467 -0.333 . . . . 3.8999999999999999 110.995 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . . . . . . . . . . . 177.02 61.58 0.06 OUTLIER Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.344 -0.931 . . . . 1.1000000000000001 113.226 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 630' ' ' HIS . 2.8 mp -108.5 -160.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.172 -0.307 . . . . 2.0099999999999998 110.172 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . 0.437 ' HA ' ' HA ' ' A' ' 629' ' ' ARG . 0.8 OUTLIER -119.68 146.91 45.16 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.412 0.523 . . . . 1.47 112.412 -178.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' ASP . . . . . 0.411 ' OD2' ' CE1' ' A' ' 703' ' ' PHE . 0.3 OUTLIER -129.2 159.99 34.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 1.23 109.843 179.325 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' ILE . . . . . 0.449 ' CG2' ' CE1' ' A' ' 577' ' ' PHE . 3.2 pt -108.66 124.69 65.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.367 0.603 . . . . 1.1200000000000001 112.031 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' TRP . . . . . 0.496 ' CH2' HD21 ' A' ' 671' ' ' LEU . 81.3 m95 -106.2 138.71 41.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.42999999999999999 111.034 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' TYR . . . . . 0.411 ' CB ' HD22 ' A' ' 672' ' ' LEU . 8.2 t80 -97.72 117.73 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.669 -0.493 . . . . 0.94999999999999996 109.669 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 624' ' ' PHE . 4.1 m -106.21 132.51 52.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.309 -0.405 . . . . 1.4399999999999999 111.199 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' HIS . . . . . 0.401 ' CE1' ' N ' ' A' ' 657' ' ' SER . 29.2 t60 -113.01 125.14 54.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.42999999999999999 110.955 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' THR . . . . . 0.434 ' O ' ' NE2' ' A' ' 666' ' ' GLN . 1.2 p -121.54 9.3 10.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.95 -0.568 . . . . 1.1799999999999999 111.41 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 622' ' ' HIS . . . -84.89 147.04 22.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.701 -0.761 . . . . 0.31 112.05 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' THR . . . . . . . . . . . . . 23.5 m -77.82 -16.43 58.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.611 0.243 . . . . 1.25 111.521 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' ASN . . . . . 0.546 ' O ' ' O ' ' A' ' 656' ' ' VAL . 6.8 m-20 -83.92 2.09 40.35 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.767 0.284 . . . . 1.75 111.767 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' VAL . . . . . 0.546 ' O ' ' O ' ' A' ' 655' ' ' ASN . 0.1 OUTLIER 49.33 130.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.61 0.719 . . . . 1.6000000000000001 112.294 179.698 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' SER . . . . . 0.401 ' N ' ' CE1' ' A' ' 651' ' ' HIS . 76.2 p -100.39 165.86 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.435 -0.802 . . . . 1.6200000000000001 110.203 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.24 120.06 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 1.3700000000000001 111.057 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.407 ' HG ' ' CD2' ' A' ' 670' ' ' PHE . 0.2 OUTLIER -100.7 100.39 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 1.73 110.999 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.48 -81.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 2.1699999999999999 110.957 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -137.36 6.78 2.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.378 . . . . 2.5899999999999999 111.706 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . 0.419 ' HB2' ' CE2' ' A' ' 670' ' ' PHE . 4.6 m120 -108.55 141.22 40.77 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.867 0.365 . . . . 1.8400000000000001 111.133 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -75.86 141.33 42.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 2.8999999999999999 110.974 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' MET . . . . . 0.416 ' CE ' ' HB2' ' A' ' 670' ' ' PHE . 27.2 mmm -125.07 93.07 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 1.29 110.851 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . 0.401 HG12 ' CG2' ' A' ' 668' ' ' THR . 33.5 pt -87.39 156.16 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.403 . . . . 1.27 110.949 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 652' ' ' THR . 26.6 tt0 -47.31 113.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 1.02 111.283 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 99.42 31.49 6.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.807 -0.711 . . . . 0.33000000000000002 112.489 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' THR . . . . . 0.401 ' CG2' HG12 ' A' ' 665' ' ' ILE . 14.0 p -115.98 162.12 17.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 1.1699999999999999 111.663 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.428 ' CG ' ' HB3' ' A' ' 648' ' ' TRP . 5.2 ttpm? -136.71 143.97 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.811 -0.631 . . . . 1.23 110.256 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' PHE . . . . . 0.441 ' CZ ' ' HD2' ' A' ' 714' ' ' ARG . 0.3 OUTLIER -147.85 145.4 28.69 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.998 0.37 . . . . 1.75 111.998 -179.097 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' LEU . . . . . 0.496 HD21 ' CH2' ' A' ' 648' ' ' TRP . 0.0 OUTLIER -68.61 136.59 53.24 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.101 -0.499 . . . . 1.8999999999999999 110.551 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 649' ' ' TYR . 0.9 OUTLIER -108.87 95.44 5.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.247 0.546 . . . . 1.1100000000000001 111.351 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . 0.593 ' HB3' ' O ' ' A' ' 706' ' ' GLY . 49.7 mt-30 -79.82 148.78 31.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.323 -0.853 . . . . 0.87 110.449 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' ASP . . . . . 0.512 ' CA ' HD12 ' A' ' 696' ' ' ILE . 30.8 t0 -49.52 112.42 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.894 0.378 . . . . 1.3999999999999999 110.433 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 95.97 36.33 5.28 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.63 -0.988 . . . . 0.29999999999999999 110.63 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.86 114.9 24.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.345 -0.427 . . . . 1.1499999999999999 110.802 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -95.77 108.49 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.398 -0.365 . . . . 2.3500000000000001 110.022 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' ILE . . . . . . . . . . . . . 9.9 mt -106.58 130.33 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.533 . . . . 1.8300000000000001 112.095 -178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' LYS . . . . . 0.438 ' HA ' ' HA2' ' A' ' 691' ' ' GLY . 7.5 mttt -94.18 115.74 28.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.446 -0.797 . . . . 2.2200000000000002 109.3 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' ILE . . . . . 0.522 ' CG2' ' CD2' ' A' ' 622' ' ' HIS . 3.0 mt -79.12 -37.2 19.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.239 -0.437 . . . . 2.0 111.284 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -155.47 131.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.71 111.441 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -136.39 123.53 21.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.57999999999999996 110.8 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.49 117.2 27.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.861 0.362 . . . . 1.5 110.504 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -66.91 -46.78 73.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 2.71 111.714 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -83.19 -40.43 19.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 2.2000000000000002 111.564 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -75.72 -13.8 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 2.0299999999999998 111.366 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.55 13.45 8.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.675 -0.239 . . . . 3.98 111.159 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' PHE . . . . . 0.463 ' CE1' ' CD1' ' A' ' 587' ' ' ILE . 1.0 OUTLIER -77.1 104.37 7.56 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.729 -0.841 . . . . 2.8799999999999999 108.729 178.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' VAL . . . . . . . . . . . . . 2.9 p -114.69 123.03 69.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.228 0.537 . . . . 1.3 111.668 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' ILE . . . . . 0.435 ' CD1' HG12 ' A' ' 587' ' ' ILE . 22.2 mm -128.14 155.27 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.55 -0.75 . . . . 1.6799999999999999 110.442 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' GLY . . . . . 0.438 ' HA2' ' HA ' ' A' ' 679' ' ' LYS . . . 175.85 128.98 1.16 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.653 -0.784 . . . . 0.37 112.415 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' PHE . . . . . 0.481 ' CE1' ' HG3' ' A' ' 582' ' ' PRO . 12.1 m-30 -113.22 142.32 45.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.669 0.271 . . . . 0.56999999999999995 110.315 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -101.31 116.87 33.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.002 0.43 . . . . 2.3900000000000001 110.302 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' VAL . . . . . 0.444 HG21 ' HG ' ' A' ' 580' ' ' LEU . 2.7 t -81.12 125.43 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.758 -0.655 . . . . 1.0800000000000001 110.593 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.02 108.68 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.062 0.458 . . . . 2.3599999999999999 111.492 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' ILE . . . . . 0.512 HD12 ' CA ' ' A' ' 674' ' ' ASP . 44.6 mt -72.96 105.88 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.706 -0.679 . . . . 1.1699999999999999 110.328 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.32 -47.62 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 1.0700000000000001 109.843 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' ASP . . . . . 0.458 ' O ' ' CD2' ' A' ' 577' ' ' PHE . 0.7 OUTLIER -111.54 142.27 44.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.625 -0.716 . . . . 1.75 110.643 179.279 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 699' ' ' THR . 0.9 OUTLIER -113.67 100.43 8.47 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.5 0.667 . . . . 1.24 109.757 178.652 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' THR . . . . . . . . . . . . . 18.3 m -82.92 66.44 8.54 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.214 -0.903 . . . . 2.0499999999999998 110.606 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' GLY . . . . . . . . . . . . . . . 75.86 45.6 16.26 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.645 -0.788 . . . . 0.95999999999999996 111.993 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' LEU . . . . . 0.433 HD22 ' CE2' ' A' ' 577' ' ' PHE . 0.4 OUTLIER -91.15 128.17 36.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.613 0.244 . . . . 2.0899999999999999 111.009 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' PHE . . . . . 0.418 ' HA ' ' CD1' ' A' ' 644' ' ' LEU . 8.1 p90 -44.49 -33.0 1.56 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.53 0.681 . . . . 1.8300000000000001 110.24 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' ASN . . . . . 0.625 ' ND2' ' H ' ' A' ' 706' ' ' GLY . 0.4 OUTLIER -147.32 -46.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.833 -1.076 . . . . 1.8999999999999999 109.128 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 704' ' ' ASN . 15.6 pt-20 142.87 -50.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.498 -1.228 . . . . 1.8100000000000001 108.106 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . 0.625 ' H ' ' ND2' ' A' ' 704' ' ' ASN . . . 165.17 77.92 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.689 -1.141 . . . . 1.5900000000000001 112.036 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' LEU . . . . . 0.526 ' HB2' ' ND2' ' A' ' 704' ' ' ASN . 0.5 OUTLIER -106.45 -10.69 16.19 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 117.085 0.443 . . . . 2.3500000000000001 111.475 179.548 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 708' ' ' GLY . . . . . 0.537 ' HA3' ' NE2' ' A' ' 673' ' ' GLN . . . 39.53 87.68 0.01 OUTLIER Glycine 0 C--N 1.335 0.517 0 C-N-CA 121.398 -0.43 . . . . 2.7200000000000002 113.164 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 709' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.71 132.21 22.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 3.23 110.951 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 710' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -176.83 -173.49 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.48 . . . . 6.4100000000000001 110.819 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -52.6 -36.33 56.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 8.6199999999999992 110.899 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -99.16 125.28 44.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 5.5300000000000002 110.638 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -82.84 100.79 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 4.7599999999999998 111.021 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' ARG . . . . . 0.441 ' HD2' ' CZ ' ' A' ' 670' ' ' PHE . 4.5 mmm-85 47.23 89.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.079 -0.51 . . . . 1.9099999999999999 111.414 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' VAL . . . . . . . . . . . . . 3.0 m -124.87 143.46 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 1.3799999999999999 110.746 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 662' ' ' ASN . 58.9 t -86.37 129.96 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 1.8899999999999999 111.142 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 3.9 mp -100.62 169.7 8.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 1.52 110.815 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.14 158.09 16.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 2.98 111.106 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -96.48 156.34 16.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 1.27 110.814 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 20.3 p -126.18 -173.92 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 1.4199999999999999 111.291 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.28 64.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 1.29 111.158 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -49.06 79.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 2.5099999999999998 110.813 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -66.87 -47.38 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 2.5600000000000001 110.837 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -55.7 -32.81 63.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 3.0299999999999998 110.942 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.03 -37.93 81.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 1.6299999999999999 111.013 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' LEU . . . . . . . . . . . . . 16.2 mt -57.26 -44.18 83.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 1.24 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 11.4 p -79.16 -23.31 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 1.3200000000000001 111.192 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -54.18 -42.09 69.27 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.364 -0.38 . . . . 3.2599999999999998 110.97 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -70.36 -27.05 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 2.79 110.909 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 602' ' ' PHE . 8.2 tt . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.284 -0.865 . . . . 1.49 110.95 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 826' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.864 0.364 . . . . 6.21 111.199 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 827' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -111.77 103.07 11.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 4.5300000000000002 110.907 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 828' ' ' ILE . . . . . . . . . . . . . 27.1 mt -105.23 107.26 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 3.9199999999999999 111.066 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 829' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 830' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -177.2 152.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 1.54 110.843 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 831' ' ' LEU . . . . . . . . . . . . . 43.2 mt -141.87 120.37 12.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 1.4199999999999999 110.913 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 832' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.292 -0.861 . . . . 3.2400000000000002 110.894 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.474 -0.25 . . . . 3.83 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 574' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -100.13 -22.55 15.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.307 . . . . 3.8 111.108 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 575' ' ' GLY . . . . . 0.51 ' HA2' ' OE1' ' A' ' 596' ' ' GLN . . . 140.65 -15.68 2.89 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.759 -0.734 . . . . 0.69 112.49 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 595' ' ' GLN . 8.9 ttm180 -112.37 143.37 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.98 0.419 . . . . 1.48 111.873 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 647' ' ' ILE . 3.5 t80 -116.08 -45.46 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.773 -0.649 . . . . 0.88 110.355 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' LEU . . . . . 0.792 HD11 ' CG1' ' A' ' 694' ' ' VAL . 8.3 tp -120.41 142.19 49.44 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.132 -0.486 . . . . 1.11 110.772 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.3 m -119.36 114.89 23.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.25 111.167 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' LEU . . . . . 0.872 HD11 HD11 ' A' ' 625' ' ' ILE . 9.9 mt -102.39 108.22 19.48 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 106.765 -1.568 . . . . 0.92 106.765 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 591' ' ' SER . 14.8 ptpt -114.98 100.42 53.61 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 114.584 1.327 . . . . 1.9 114.584 -176.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' A' ' 590' ' ' GLU . 42.9 Cg_exo -47.27 99.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 121.905 1.737 . . . . 0.21 109.664 176.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' LEU . . . . . 0.687 HD22 ' HB2' ' A' ' 693' ' ' LYS . 0.1 OUTLIER -74.61 158.3 85.1 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 113.396 0.887 . . . . 0.66 113.396 -176.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 584' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -49.53 -25.26 10.48 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.71 2.94 . . . . 0.5 112.693 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' ASP . . . . . 0.476 ' HB2' HD12 ' A' ' 583' ' ' LEU . 6.9 t0 -61.91 -27.87 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.011 -0.737 . . . . 1.67 109.011 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' SER . . . . . 0.609 ' OG ' HD13 ' A' ' 690' ' ' ILE . 8.5 t -95.58 154.03 17.41 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.143 -0.935 . . . . 0.82 109.744 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' ILE . . . . . 0.79 HD13 ' CE1' ' A' ' 688' ' ' PHE . 3.8 pt -56.74 -11.54 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.648 -0.251 . . . . 1.11 111.082 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ILE . . . . . 0.688 HD13 HG23 ' A' ' 613' ' ' ILE . 16.3 mt -109.67 123.9 65.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.816 0.341 . . . . 1.32 111.665 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 589' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.11 56.15 0.62 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.205 0.526 . . . . 1.12 110.19 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' GLU . . . . . 0.606 ' O ' ' HD2' ' A' ' 582' ' ' PRO . 1.2 mt-10 -124.54 171.57 9.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.726 . . . . 2.01 111.109 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' SER . . . . . 0.566 ' HA ' ' HA ' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -127.68 131.99 49.72 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.068 0.461 . . . . 0.76 111.258 178.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 592' ' ' LEU . . . . . 0.742 HD13 ' SG ' ' A' ' 611' ' ' CYS . 0.2 OUTLIER -112.34 141.3 46.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.778 -0.646 . . . . 1.64 110.093 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.432 ' HB3' ' HG3' ' A' ' 576' ' ' ARG . 0.9 OUTLIER -124.04 110.87 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.651 -0.25 . . . . 1.69 111.485 -179.39 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 594' ' ' ILE . . . . . 0.919 HD11 HD12 ' A' ' 625' ' ' ILE . 68.3 mt -77.84 109.44 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 120.977 0.418 . . . . 0.28 110.592 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' GLN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 576' ' ' ARG . 2.2 mp0 -66.51 115.75 6.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.968 -0.56 . . . . 2.44 110.153 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 596' ' ' GLN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 577' ' ' PHE . 0.0 OUTLIER -46.43 -27.17 1.0 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.961 0.41 . . . . 1.13 110.945 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.2 78.74 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.908 -0.663 . . . . 0.22 113.181 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' VAL . . . . . . . . . . . . . 40.8 t -97.88 118.81 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 117.441 0.621 . . . . 0.26 111.306 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ASN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 600' ' ' PRO . 9.5 t30 -139.23 121.7 10.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.3 109.954 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' PRO . . . . . 0.581 ' HB3' ' HB2' ' A' ' 626' ' ' PHE . 44.9 Cg_endo -90.22 160.42 33.29 Favored 'Cis proline' 0 C--N 1.345 0.369 0 C-N-CA 124.54 -1.025 . . . . 0.29 111.584 -0.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' PHE . . . . . 0.686 ' CD2' HG23 ' A' ' 594' ' ' ILE . 3.9 t80 -91.16 115.79 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.238 -0.652 . . . . 0.23 109.238 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' PHE . . . . . 0.669 ' CG ' HD12 ' A' ' 730' ' ' LEU . 25.9 m-85 -92.34 138.11 31.79 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.729 -0.669 . . . . 0.34 112.503 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' ILE . . . . . 0.785 HG23 ' SG ' ' A' ' 611' ' ' CYS . 3.8 mp -125.55 143.46 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.128 -0.942 . . . . 0.35 110.346 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 167.64 -174.12 42.68 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 120.154 -1.022 . . . . 0.3 113.493 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' ARG . . . . . 0.46 ' HG3' ' HA ' ' A' ' 614' ' ' GLU . 6.6 ttp85 -81.38 -4.12 54.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.715 -0.243 . . . . 1.73 111.413 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.0 129.34 46.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.854 0.359 . . . . 1.15 110.933 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -25.28 15.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 2.67 111.081 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.57 -28.39 60.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 1.92 110.776 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 602' ' ' PHE . 17.6 m -75.12 131.35 40.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.979 -0.555 . . . . 0.32 110.768 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 601' ' ' PHE . 33.7 m120 -45.64 -32.01 2.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.24 0.543 . . . . 1.52 110.344 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' CYS . . . . . 0.785 ' SG ' HG23 ' A' ' 603' ' ' ILE . 41.9 t -107.39 138.23 43.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.398 -0.819 . . . . 0.25 109.495 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 111.91 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.701 0.63 . . . . 2.26 112.701 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' ILE . . . . . 0.688 HG23 HD13 ' A' ' 588' ' ' ILE . 30.8 mm -137.82 109.73 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.285 -0.871 . . . . 0.43 109.587 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' GLU . . . . . 0.46 ' HA ' ' HG3' ' A' ' 605' ' ' ARG . 32.4 mt-10 -87.79 104.1 16.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 119.981 -0.688 . . . . 2.55 110.559 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 615' ' ' ASP . . . . . 0.742 ' HB2' HD13 ' A' ' 618' ' ' LEU . 0.2 OUTLIER -130.99 112.07 12.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.968 -1.015 . . . . 2.2 109.308 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -42.17 -35.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 2.02 111.638 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' ARG . . . . . 0.513 ' HB2' HD13 ' A' ' 681' ' ' ILE . 10.7 mmt180 -77.63 -36.49 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 2.27 111.194 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' A' ' 615' ' ' ASP . 0.3 OUTLIER -62.02 159.57 14.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 1.36 111.177 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.6 m -111.08 168.59 9.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 1.38 110.417 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -47.0 -50.49 19.07 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.162 0.506 . . . . 2.23 110.191 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' VAL . . . . . 0.746 HG11 ' CG2' ' A' ' 727' ' ' VAL . 17.7 t -119.7 58.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.465 -0.789 . . . . 0.48 109.366 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 622' ' ' HIS . . . . . 0.602 ' CD2' HG23 ' A' ' 680' ' ' ILE . 24.2 t60 -48.63 -48.85 39.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.279 -0.873 . . . . 0.61 111.724 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 623' ' ' CYS . . . . . . . . . . . . . 4.3 p -162.68 154.31 18.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.018 0.437 . . . . 0.45 111.431 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' PHE . . . . . 0.613 ' HA ' HD12 ' A' ' 603' ' ' ILE . 40.5 p90 -143.21 147.18 34.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.742 -0.663 . . . . 1.01 110.621 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' ILE . . . . . 0.919 HD12 HD11 ' A' ' 594' ' ' ILE . 86.0 mt -101.7 134.6 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 1.02 109.764 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 626' ' ' PHE . . . . . 0.581 ' HB2' ' HB3' ' A' ' 600' ' ' PRO . 4.7 t80 -125.1 133.02 53.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.173 -0.467 . . . . 0.36 110.754 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 647' ' ' ILE . 30.8 ttmt -97.77 136.59 37.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.05 -0.523 . . . . 0.89 110.61 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' LYS . . . . . 0.456 ' HG3' ' CE2' ' A' ' 626' ' ' PHE . 0.0 OUTLIER -135.55 158.57 44.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.516 . . . . 1.77 111.795 -178.684 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 629' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 645' ' ' ASP . 1.1 tpt180 -76.87 112.74 13.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.909 -0.587 . . . . 2.13 110.399 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 630' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 644' ' ' LEU . 12.2 t-80 -76.44 128.75 35.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.648 -0.705 . . . . 0.76 110.981 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 631' ' ' ALA . . . . . . . . . . . . . . . -155.31 119.18 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 1.36 111.052 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' VAL . . . . . 0.569 HG21 ' HG3' ' A' ' 640' ' ' PRO . 29.4 m -74.05 174.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 2.09 111.13 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . -69.68 -45.28 59.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.696 -0.764 . . . . 2.87 112.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -154.89 168.05 28.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 6.07 110.916 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' SER . . . . . . . . . . . . . 7.8 p -132.51 83.42 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 2.78 110.969 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' MET . . . . . . . . . . . . . 37.8 mtp -92.21 115.31 27.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 5.39 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 69.39 -65.74 0.29 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 7.23 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.91 144.24 41.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 5.22 110.918 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 16.1 m -99.19 99.84 9.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 3.84 110.917 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' PRO . . . . . 0.569 ' HG3' HG21 ' A' ' 632' ' ' VAL . 66.2 Cg_endo -73.24 -162.72 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.482 2.122 . . . . 2.66 112.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 641' ' ' ALA . . . . . 0.671 ' O ' HD12 ' A' ' 644' ' ' LEU . . . -48.97 -26.22 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 1.75 111.708 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 76.96 -70.79 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.467 -0.333 . . . . 3.21 110.995 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' GLY . . . . . . . . . . . . . . . 177.02 61.58 0.06 OUTLIER Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.344 -0.931 . . . . 0.66 113.226 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.833 HD13 ' HA ' ' A' ' 703' ' ' PHE . 2.8 mp -108.5 -160.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.172 -0.307 . . . . 1.42 110.172 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.567 ' O ' HD13 ' A' ' 702' ' ' LEU . 0.8 OUTLIER -119.68 146.91 45.16 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.412 0.523 . . . . 1.47 112.412 -178.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 646' ' ' ASP . . . . . 0.411 ' OD2' ' CE1' ' A' ' 703' ' ' PHE . 0.3 OUTLIER -129.2 159.99 34.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 1.23 109.843 179.325 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 647' ' ' ILE . . . . . 0.672 HD13 HD13 ' A' ' 578' ' ' LEU . 3.2 pt -108.66 124.69 65.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.367 0.603 . . . . 0.35 112.031 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 648' ' ' TRP . . . . . 0.87 ' CZ3' HD22 ' A' ' 671' ' ' LEU . 81.3 m95 -106.2 138.71 41.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.37 111.034 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 649' ' ' TYR . . . . . 0.604 ' CD2' HD13 ' A' ' 678' ' ' ILE . 8.2 t80 -97.72 117.73 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.669 -0.493 . . . . 0.62 109.669 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 650' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 624' ' ' PHE . 4.1 m -106.21 132.51 52.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.309 -0.405 . . . . 0.76 111.199 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' HIS . . . . . 0.401 ' CE1' ' N ' ' A' ' 657' ' ' SER . 29.2 t60 -113.01 125.14 54.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.35 110.955 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' THR . . . . . . . . . . . . . 1.2 p -121.54 9.3 10.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.95 -0.568 . . . . 0.49 111.41 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 622' ' ' HIS . . . -84.89 147.04 22.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.701 -0.761 . . . . 0.31 112.05 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' THR . . . . . . . . . . . . . 23.5 m -77.82 -16.43 58.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.611 0.243 . . . . 0.6 111.521 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' ASN . . . . . 0.546 ' O ' ' O ' ' A' ' 656' ' ' VAL . 6.8 m-20 -83.92 2.09 40.35 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.767 0.284 . . . . 1.75 111.767 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' VAL . . . . . 0.546 ' O ' ' O ' ' A' ' 655' ' ' ASN . 0.1 OUTLIER 49.33 130.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.61 0.719 . . . . 0.97 112.294 179.698 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 657' ' ' SER . . . . . 0.401 ' N ' ' CE1' ' A' ' 651' ' ' HIS . 76.2 p -100.39 165.86 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.435 -0.802 . . . . 1.22 110.203 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.24 120.06 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.98 111.057 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.63 HD13 HG12 ' A' ' 678' ' ' ILE . 0.2 OUTLIER -100.7 100.39 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 1.1 110.999 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 660' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.48 -81.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 2.17 110.957 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -137.36 6.78 2.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.378 . . . . 2.02 111.706 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' ASN . . . . . 0.546 ' HB3' HG23 ' A' ' 716' ' ' VAL . 4.6 m120 -108.55 141.22 40.77 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.867 0.365 . . . . 1.76 111.133 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.603 ' O ' HG21 ' A' ' 716' ' ' VAL . 7.1 ttm180 -75.86 141.33 42.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 2.37 110.974 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' MET . . . . . 0.467 ' O ' HG23 ' A' ' 656' ' ' VAL . 27.2 mmm -125.07 93.07 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 1.13 110.851 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.43 HG12 HG21 ' A' ' 668' ' ' THR . 33.5 pt -87.39 156.16 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.403 . . . . 0.66 110.949 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -47.31 113.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.54 111.283 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 99.42 31.49 6.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.807 -0.711 . . . . 0.33 112.489 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' THR . . . . . 0.43 HG21 HG12 ' A' ' 665' ' ' ILE . 14.0 p -115.98 162.12 17.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 0.55 111.663 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 648' ' ' TRP . 5.2 ttpm? -136.71 143.97 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.811 -0.631 . . . . 0.62 110.256 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' PHE . . . . . 0.575 ' HB3' HD23 ' A' ' 659' ' ' LEU . 0.3 OUTLIER -147.85 145.4 28.69 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.998 0.37 . . . . 1.08 111.998 -179.097 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 671' ' ' LEU . . . . . 0.87 HD22 ' CZ3' ' A' ' 648' ' ' TRP . 0.0 OUTLIER -68.61 136.59 53.24 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.101 -0.499 . . . . 1.32 110.551 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 672' ' ' LEU . . . . . 0.817 HD13 HG21 ' A' ' 694' ' ' VAL . 0.9 OUTLIER -108.87 95.44 5.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.247 0.546 . . . . 0.42 111.351 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 673' ' ' GLN . . . . . 0.6 ' HB3' ' O ' ' A' ' 706' ' ' GLY . 12.4 mt-30 -79.82 148.78 31.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.323 -0.853 . . . . 0.78 110.449 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' ASP . . . . . 0.683 ' HB2' HD12 ' A' ' 696' ' ' ILE . 30.8 t0 -49.52 112.42 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.894 0.378 . . . . 1.4 110.433 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 95.97 36.33 5.28 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.63 -0.988 . . . . 0.3 110.63 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.86 114.9 24.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.345 -0.427 . . . . 1.15 110.802 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -95.77 108.49 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.398 -0.365 . . . . 2.35 110.022 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' ILE . . . . . 0.63 HG12 HD13 ' A' ' 659' ' ' LEU . 9.9 mt -106.58 130.33 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.533 . . . . 1.17 112.095 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 679' ' ' LYS . . . . . 0.455 ' HA ' ' HA2' ' A' ' 691' ' ' GLY . 7.5 mttt -94.18 115.74 28.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.446 -0.797 . . . . 1.72 109.3 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 680' ' ' ILE . . . . . 0.602 HG23 ' CD2' ' A' ' 622' ' ' HIS . 3.0 mt -79.12 -37.2 19.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.239 -0.437 . . . . 1.38 111.284 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' ILE . . . . . 0.667 ' CD1' HD12 ' A' ' 618' ' ' LEU . 0.6 OUTLIER -155.47 131.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.03 111.441 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 682' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -136.39 123.53 21.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.52 110.8 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 683' ' ' ASP . . . . . 0.421 ' CG ' HD22 ' P' ' 831' ' ' LEU . 0.8 OUTLIER -120.49 117.2 27.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.861 0.362 . . . . 1.5 110.504 179.156 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -66.91 -46.78 73.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 2.29 111.714 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -83.19 -40.43 19.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 1.92 111.564 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -75.72 -13.8 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 1.6 111.366 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.55 13.45 8.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.675 -0.239 . . . . 3.55 111.159 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 688' ' ' PHE . . . . . 0.79 ' CE1' HD13 ' A' ' 587' ' ' ILE . 1.0 OUTLIER -77.1 104.37 7.56 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.729 -0.841 . . . . 2.05 108.729 178.656 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 689' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 689' ' ' VAL . 2.9 p -114.69 123.03 69.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.228 0.537 . . . . 0.65 111.668 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 690' ' ' ILE . . . . . 0.609 HD13 ' OG ' ' A' ' 586' ' ' SER . 22.2 mm -128.14 155.27 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.55 -0.75 . . . . 1.05 110.442 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 691' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' A' ' 679' ' ' LYS . . . 175.85 128.98 1.16 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.653 -0.784 . . . . 0.29 112.415 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 692' ' ' PHE . . . . . 0.513 ' CE2' HD11 ' A' ' 592' ' ' LEU . 12.1 m-30 -113.22 142.32 45.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.669 0.271 . . . . 0.44 110.315 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 693' ' ' LYS . . . . . 0.687 ' HB2' HD22 ' A' ' 583' ' ' LEU . 19.1 tttt -101.31 116.87 33.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.002 0.43 . . . . 1.84 110.302 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 694' ' ' VAL . . . . . 0.817 HG21 HD13 ' A' ' 672' ' ' LEU . 2.7 t -81.12 125.43 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.758 -0.655 . . . . 0.19 110.593 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.02 108.68 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.062 0.458 . . . . 2.36 111.492 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 696' ' ' ILE . . . . . 0.683 HD12 ' HB2' ' A' ' 674' ' ' ASP . 44.6 mt -72.96 105.88 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.706 -0.679 . . . . 0.42 110.328 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 697' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.32 -47.62 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 1.07 109.843 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 698' ' ' ASP . . . . . 0.458 ' O ' ' CD2' ' A' ' 577' ' ' PHE . 0.7 OUTLIER -111.54 142.27 44.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.625 -0.716 . . . . 1.75 110.643 179.279 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 699' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.67 100.43 8.47 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.5 0.667 . . . . 0.69 109.757 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 700' ' ' THR . . . . . . . . . . . . . 18.3 m -82.92 66.44 8.54 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.214 -0.903 . . . . 1.49 110.606 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 701' ' ' GLY . . . . . . . . . . . . . . . 75.86 45.6 16.26 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.645 -0.788 . . . . 0.84 111.993 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 702' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 645' ' ' ASP . 0.4 OUTLIER -91.15 128.17 36.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.613 0.244 . . . . 1.44 111.009 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 703' ' ' PHE . . . . . 0.833 ' HA ' HD13 ' A' ' 644' ' ' LEU . 8.1 p90 -44.49 -33.0 1.56 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.53 0.681 . . . . 1.83 110.24 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 704' ' ' ASN . . . . . 0.622 HD22 HD23 ' A' ' 707' ' ' LEU . 0.2 OUTLIER -147.32 -46.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.833 -1.076 . . . . 1.9 109.128 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.631 ' O ' HD13 ' A' ' 696' ' ' ILE . 15.6 pt-20 142.87 -50.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.498 -1.228 . . . . 1.81 108.106 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 706' ' ' GLY . . . . . 0.6 ' O ' ' HB3' ' A' ' 673' ' ' GLN . . . 165.17 77.92 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.689 -1.141 . . . . 1.59 112.036 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 707' ' ' LEU . . . . . 0.622 HD23 HD22 ' A' ' 704' ' ' ASN . 0.5 OUTLIER -106.45 -10.69 16.19 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 117.085 0.443 . . . . 1.88 111.475 179.548 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 708' ' ' GLY . . . . . 0.418 ' N ' ' HG2' ' A' ' 673' ' ' GLN . . . 39.53 87.68 0.01 OUTLIER Glycine 0 C--N 1.335 0.517 0 C-N-CA 121.398 -0.43 . . . . 2.72 113.164 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 709' ' ' MET . . . . . 0.518 ' HE3' ' O ' ' A' ' 709' ' ' MET . 0.0 OUTLIER -143.71 132.21 22.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 3.09 110.951 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 710' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -176.83 -173.49 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.48 . . . . 5.92 110.819 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -52.6 -36.33 56.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 8.02 110.899 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 712' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -99.16 125.28 44.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 5.53 110.638 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 713' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -82.84 100.79 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 4.09 111.021 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 714' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' A' ' 670' ' ' PHE . 4.5 mmm-85 47.23 89.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.079 -0.51 . . . . 1.42 111.414 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 715' ' ' VAL . . . . . . . . . . . . . 3.0 m -124.87 143.46 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.68 110.746 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 716' ' ' VAL . . . . . 0.603 HG21 ' O ' ' A' ' 663' ' ' ARG . 58.9 t -86.37 129.96 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 1.15 111.142 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 3.9 mp -100.62 169.7 8.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.83 110.815 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.14 158.09 16.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 2.56 111.106 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 719' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -96.48 156.34 16.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 1.15 110.814 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 20.3 p -126.18 -173.92 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.75 111.291 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.28 64.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.6 111.158 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 722' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -49.06 79.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 2.51 110.813 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 723' ' ' GLU . . . . . 0.645 ' HA ' HD12 ' A' ' 726' ' ' LEU . 6.7 mt-10 -66.87 -47.38 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 2.56 110.837 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -55.7 -32.81 63.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 2.58 110.942 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 725' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.03 -37.93 81.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 1.63 111.013 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 726' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 723' ' ' GLU . 16.2 mt -57.26 -44.18 83.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.53 110.964 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.746 ' CG2' HG11 ' A' ' 621' ' ' VAL . 11.4 p -79.16 -23.31 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.65 111.192 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -54.18 -42.09 69.27 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.364 -0.38 . . . . 2.79 110.97 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -70.36 -27.05 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 2.33 110.909 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 730' ' ' LEU . . . . . 0.669 HD12 ' CG ' ' A' ' 602' ' ' PHE . 8.2 tt . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.284 -0.865 . . . . 1.49 110.95 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 826' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.864 0.364 . . . . 6.21 111.199 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 827' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -111.77 103.07 11.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 4.53 110.907 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 828' ' ' ILE . . . . . . . . . . . . . 27.1 mt -105.23 107.26 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 3.42 111.066 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 829' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 830' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -177.2 152.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 1.19 110.843 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 831' ' ' LEU . . . . . 0.421 HD22 ' CG ' ' A' ' 683' ' ' ASP . 43.2 mt -141.87 120.37 12.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 1.19 110.913 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 832' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.292 -0.861 . . . . 3.24 110.894 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.474 -0.25 . . . . 3.83 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -100.13 -22.55 15.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.746 0.307 . . . . 3.8 111.108 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' GLY . . . . . 0.51 ' HA2' ' OE1' ' A' ' 596' ' ' GLN . . . 140.65 -15.68 2.89 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.759 -0.734 . . . . 0.69 112.49 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 595' ' ' GLN . 8.9 ttm180 -112.37 143.37 43.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.98 0.419 . . . . 1.48 111.873 -179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' PHE . . . . . 0.633 ' CE1' HG21 ' A' ' 647' ' ' ILE . 3.5 t80 -116.08 -45.46 2.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.773 -0.649 . . . . 0.88 110.355 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' LEU . . . . . 0.792 HD11 ' CG1' ' A' ' 694' ' ' VAL . 8.3 tp -120.41 142.19 49.44 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.132 -0.486 . . . . 1.11 110.772 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' THR . . . . . . . . . . . . . 4.3 m -119.36 114.89 23.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.25 111.167 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' LEU . . . . . 0.872 HD11 HD11 ' A' ' 625' ' ' ILE . 9.9 mt -102.39 108.22 19.48 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 106.765 -1.568 . . . . 0.92 106.765 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.566 ' HA ' ' HA ' ' A' ' 591' ' ' SER . 14.8 ptpt -114.98 100.42 53.61 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 114.584 1.327 . . . . 1.9 114.584 -176.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' A' ' 590' ' ' GLU . 42.9 Cg_exo -47.27 99.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 121.905 1.737 . . . . 0.21 109.664 176.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . 0.687 HD22 ' HB2' ' A' ' 693' ' ' LYS . 0.1 OUTLIER -74.61 158.3 85.1 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 113.396 0.887 . . . . 0.66 113.396 -176.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' PRO . . . . . 0.414 ' HA ' ' NE2' ' A' ' 589' ' ' GLN . 7.9 Cg_endo -49.53 -25.26 10.48 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.71 2.94 . . . . 0.5 112.693 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' ASP . . . . . 0.476 ' HB2' HD12 ' A' ' 583' ' ' LEU . 6.9 t0 -61.91 -27.87 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.011 -0.737 . . . . 1.67 109.011 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' SER . . . . . 0.609 ' OG ' HD13 ' A' ' 690' ' ' ILE . 8.5 t -95.58 154.03 17.41 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.143 -0.935 . . . . 0.82 109.744 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' ILE . . . . . 0.79 HD13 ' CE1' ' A' ' 688' ' ' PHE . 3.8 pt -56.74 -11.54 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.648 -0.251 . . . . 1.11 111.082 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ILE . . . . . 0.688 HD13 HG23 ' A' ' 613' ' ' ILE . 16.3 mt -109.67 123.9 65.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-O 120.816 0.341 . . . . 1.32 111.665 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 584' ' ' PRO . 0.1 OUTLIER -109.11 56.15 0.62 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.205 0.526 . . . . 1.12 110.19 179.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' GLU . . . . . 0.606 ' O ' ' HD2' ' A' ' 582' ' ' PRO . 1.2 mt-10 -124.54 171.57 9.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.604 -0.726 . . . . 2.01 111.109 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' SER . . . . . 0.566 ' HA ' ' HA ' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -127.68 131.99 49.72 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.068 0.461 . . . . 0.76 111.258 178.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' LEU . . . . . 0.742 HD13 ' SG ' ' A' ' 611' ' ' CYS . 0.2 OUTLIER -112.34 141.3 46.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.778 -0.646 . . . . 1.64 110.093 179.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.432 ' HB3' ' HG3' ' A' ' 576' ' ' ARG . 0.9 OUTLIER -124.04 110.87 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.651 -0.25 . . . . 1.69 111.485 -179.39 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' ILE . . . . . 0.919 HD11 HD12 ' A' ' 625' ' ' ILE . 68.3 mt -77.84 109.44 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-O 120.977 0.418 . . . . 0.28 110.592 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' GLN . . . . . 0.507 ' HA ' ' HA ' ' A' ' 576' ' ' ARG . 0.8 OUTLIER -66.51 115.75 6.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.968 -0.56 . . . . 2.44 110.153 179.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' GLN . . . . . 0.561 ' HB3' ' HB2' ' A' ' 577' ' ' PHE . 0.0 OUTLIER -46.43 -27.17 1.0 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.961 0.41 . . . . 1.13 110.945 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLY . . . . . . . . . . . . . . . -71.73 -22.2 78.74 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.908 -0.663 . . . . 0.22 113.181 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' VAL . . . . . . . . . . . . . 40.8 t -97.88 118.81 45.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 117.441 0.621 . . . . 0.26 111.306 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ASN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 600' ' ' PRO . 9.5 t30 -139.23 121.7 10.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.3 109.954 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' PRO . . . . . 0.581 ' HB3' ' HB2' ' A' ' 626' ' ' PHE . 44.9 Cg_endo -90.22 160.42 33.29 Favored 'Cis proline' 0 C--N 1.345 0.369 0 C-N-CA 124.54 -1.025 . . . . 0.29 111.584 -0.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' PHE . . . . . 0.686 ' CD2' HG23 ' A' ' 594' ' ' ILE . 3.9 t80 -91.16 115.79 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.238 -0.652 . . . . 0.23 109.238 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' PHE . . . . . 0.669 ' CG ' HD12 ' A' ' 730' ' ' LEU . 25.9 m-85 -92.34 138.11 31.79 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.729 -0.669 . . . . 0.34 112.503 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' ILE . . . . . 0.785 HG23 ' SG ' ' A' ' 611' ' ' CYS . 3.8 mp -125.55 143.46 39.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.128 -0.942 . . . . 0.35 110.346 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' GLY . . . . . . . . . . . . . . . 167.64 -174.12 42.68 Favored Glycine 0 CA--C 1.517 0.207 0 C-N-CA 120.154 -1.022 . . . . 0.3 113.493 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' ARG . . . . . 0.46 ' HG3' ' HA ' ' A' ' 614' ' ' GLU . 6.6 ttp85 -81.38 -4.12 54.8 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.715 -0.243 . . . . 1.73 111.413 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.0 129.34 46.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.854 0.359 . . . . 1.15 110.933 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -25.28 15.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.177 -0.465 . . . . 2.67 111.081 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -56.57 -28.39 60.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 1.92 110.776 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 602' ' ' PHE . 17.6 m -75.12 131.35 40.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.979 -0.555 . . . . 0.32 110.768 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 601' ' ' PHE . 33.7 m120 -45.64 -32.01 2.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.24 0.543 . . . . 1.52 110.344 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' CYS . . . . . 0.785 ' SG ' HG23 ' A' ' 603' ' ' ILE . 41.9 t -107.39 138.23 43.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.398 -0.819 . . . . 0.25 109.495 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 111.91 22.8 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.701 0.63 . . . . 2.26 112.701 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' ILE . . . . . 0.688 HG23 HD13 ' A' ' 588' ' ' ILE . 30.8 mm -137.82 109.73 6.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.285 -0.871 . . . . 0.43 109.587 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . 0.46 ' HA ' ' HG3' ' A' ' 605' ' ' ARG . 32.4 mt-10 -87.79 104.1 16.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 119.981 -0.688 . . . . 2.55 110.559 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' ASP . . . . . 0.742 ' HB2' HD13 ' A' ' 618' ' ' LEU . 0.2 OUTLIER -130.99 112.07 12.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.968 -1.015 . . . . 2.2 109.308 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -42.17 -35.98 1.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 2.02 111.638 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' ARG . . . . . 0.513 ' HB2' HD13 ' A' ' 681' ' ' ILE . 10.7 mmt180 -77.63 -36.49 51.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 2.27 111.194 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' A' ' 615' ' ' ASP . 0.3 OUTLIER -62.02 159.57 14.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 1.36 111.177 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.6 m -111.08 168.59 9.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.068 -0.515 . . . . 1.38 110.417 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -47.0 -50.49 19.07 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.162 0.506 . . . . 2.23 110.191 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' VAL . . . . . 0.746 HG11 ' CG2' ' A' ' 727' ' ' VAL . 17.7 t -119.7 58.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.465 -0.789 . . . . 0.48 109.366 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' HIS . . . . . 0.602 ' CD2' HG23 ' A' ' 680' ' ' ILE . 24.2 t60 -48.63 -48.85 39.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.279 -0.873 . . . . 0.61 111.724 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' CYS . . . . . . . . . . . . . 4.3 p -162.68 154.31 18.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.018 0.437 . . . . 0.45 111.431 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' PHE . . . . . 0.613 ' HA ' HD12 ' A' ' 603' ' ' ILE . 40.5 p90 -143.21 147.18 34.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.742 -0.663 . . . . 1.01 110.621 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' ILE . . . . . 0.919 HD12 HD11 ' A' ' 594' ' ' ILE . 86.0 mt -101.7 134.6 41.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 1.02 109.764 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' PHE . . . . . 0.581 ' HB2' ' HB3' ' A' ' 600' ' ' PRO . 4.7 t80 -125.1 133.02 53.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.173 -0.467 . . . . 0.36 110.754 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 647' ' ' ILE . 30.8 ttmt -97.77 136.59 37.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.05 -0.523 . . . . 0.89 110.61 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' LYS . . . . . 0.456 ' HG3' ' CE2' ' A' ' 626' ' ' PHE . 0.0 OUTLIER -135.55 158.57 44.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.066 -0.516 . . . . 1.77 111.795 -178.684 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' ARG . . . . . 0.443 ' HA ' ' HA ' ' A' ' 645' ' ' ASP . 1.1 tpt180 -76.87 112.74 13.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.909 -0.587 . . . . 2.13 110.399 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' HIS . . . . . 0.451 ' CD2' ' CB ' ' A' ' 641' ' ' ALA . 5.7 t60 -76.44 128.75 35.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.648 -0.705 . . . . 0.76 110.981 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' ALA . . . . . . . . . . . . . . . -155.31 119.18 4.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 1.36 111.052 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' VAL . . . . . 0.569 HG21 ' HG3' ' A' ' 640' ' ' PRO . 29.4 m -74.05 174.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 2.09 111.13 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' GLY . . . . . . . . . . . . . . . -69.68 -45.28 59.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.696 -0.764 . . . . 2.87 112.447 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -154.89 168.05 28.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 6.07 110.916 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' SER . . . . . . . . . . . . . 7.8 p -132.51 83.42 2.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 2.78 110.969 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' MET . . . . . . . . . . . . . 37.8 mtp -92.21 115.31 27.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 5.39 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 69.39 -65.74 0.29 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.482 . . . . 7.23 110.968 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.91 144.24 41.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 5.22 110.918 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 16.1 m -99.19 99.84 9.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 3.84 110.917 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' PRO . . . . . 0.569 ' HG3' HG21 ' A' ' 632' ' ' VAL . 66.2 Cg_endo -73.24 -162.72 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.482 2.122 . . . . 2.66 112.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' ALA . . . . . 0.671 ' O ' HD12 ' A' ' 644' ' ' LEU . . . -48.97 -26.22 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 1.75 111.708 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 76.96 -70.79 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.467 -0.333 . . . . 3.21 110.995 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . . . . . . . . . . . 177.02 61.58 0.06 OUTLIER Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.344 -0.931 . . . . 0.66 113.226 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.833 HD13 ' HA ' ' A' ' 703' ' ' PHE . 2.8 mp -108.5 -160.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.172 -0.307 . . . . 1.42 110.172 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.567 ' O ' HD13 ' A' ' 702' ' ' LEU . 0.8 OUTLIER -119.68 146.91 45.16 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 112.412 0.523 . . . . 1.47 112.412 -178.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' ASP . . . . . 0.411 ' OD2' ' CE1' ' A' ' 703' ' ' PHE . 0.3 OUTLIER -129.2 159.99 34.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 1.23 109.843 179.325 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' ILE . . . . . 0.672 HD13 HD13 ' A' ' 578' ' ' LEU . 3.2 pt -108.66 124.69 65.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.367 0.603 . . . . 0.35 112.031 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' TRP . . . . . 0.87 ' CZ3' HD22 ' A' ' 671' ' ' LEU . 81.3 m95 -106.2 138.71 41.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.125 -0.943 . . . . 0.37 111.034 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' TYR . . . . . 0.604 ' CD2' HD13 ' A' ' 678' ' ' ILE . 8.2 t80 -97.72 117.73 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.669 -0.493 . . . . 0.62 109.669 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 624' ' ' PHE . 4.1 m -106.21 132.51 52.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.309 -0.405 . . . . 0.76 111.199 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' HIS . . . . . 0.401 ' CE1' ' N ' ' A' ' 657' ' ' SER . 29.2 t60 -113.01 125.14 54.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.35 110.955 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' THR . . . . . 0.434 ' O ' ' NE2' ' A' ' 666' ' ' GLN . 1.2 p -121.54 9.3 10.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.95 -0.568 . . . . 0.49 111.41 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 622' ' ' HIS . . . -84.89 147.04 22.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.701 -0.761 . . . . 0.31 112.05 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' THR . . . . . . . . . . . . . 23.5 m -77.82 -16.43 58.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.611 0.243 . . . . 0.6 111.521 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' ASN . . . . . 0.546 ' O ' ' O ' ' A' ' 656' ' ' VAL . 6.8 m-20 -83.92 2.09 40.35 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.767 0.284 . . . . 1.75 111.767 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' VAL . . . . . 0.546 ' O ' ' O ' ' A' ' 655' ' ' ASN . 0.1 OUTLIER 49.33 130.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.61 0.719 . . . . 0.97 112.294 179.698 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' SER . . . . . 0.401 ' N ' ' CE1' ' A' ' 651' ' ' HIS . 76.2 p -100.39 165.86 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.435 -0.802 . . . . 1.22 110.203 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -124.24 120.06 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.98 111.057 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.63 HD13 HG12 ' A' ' 678' ' ' ILE . 0.2 OUTLIER -100.7 100.39 11.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 1.1 110.999 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.48 -81.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 2.17 110.957 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -137.36 6.78 2.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.378 . . . . 2.02 111.706 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . 0.546 ' HB3' HG23 ' A' ' 716' ' ' VAL . 4.6 m120 -108.55 141.22 40.77 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.867 0.365 . . . . 1.76 111.133 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.603 ' O ' HG21 ' A' ' 716' ' ' VAL . 7.1 ttm180 -75.86 141.33 42.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 2.37 110.974 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' MET . . . . . 0.467 ' O ' HG23 ' A' ' 656' ' ' VAL . 27.2 mmm -125.07 93.07 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.287 -0.415 . . . . 1.13 110.851 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.43 HG12 HG21 ' A' ' 668' ' ' THR . 33.5 pt -87.39 156.16 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.403 . . . . 0.66 110.949 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 652' ' ' THR . 26.6 tt0 -47.31 113.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.54 111.283 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' GLY . . . . . . . . . . . . . . . 99.42 31.49 6.12 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.807 -0.711 . . . . 0.33 112.489 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' THR . . . . . 0.43 HG21 HG12 ' A' ' 665' ' ' ILE . 14.0 p -115.98 162.12 17.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 0.55 111.663 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 648' ' ' TRP . 5.2 ttpm? -136.71 143.97 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.811 -0.631 . . . . 0.62 110.256 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' PHE . . . . . 0.575 ' HB3' HD23 ' A' ' 659' ' ' LEU . 0.3 OUTLIER -147.85 145.4 28.69 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.998 0.37 . . . . 1.08 111.998 -179.097 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' LEU . . . . . 0.87 HD22 ' CZ3' ' A' ' 648' ' ' TRP . 0.0 OUTLIER -68.61 136.59 53.24 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 116.101 -0.499 . . . . 1.32 110.551 179.487 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' LEU . . . . . 0.817 HD13 HG21 ' A' ' 694' ' ' VAL . 0.9 OUTLIER -108.87 95.44 5.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.247 0.546 . . . . 0.42 111.351 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . 0.6 ' HB3' ' O ' ' A' ' 706' ' ' GLY . 49.7 mt-30 -79.82 148.78 31.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.323 -0.853 . . . . 0.78 110.449 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' ASP . . . . . 0.683 ' HB2' HD12 ' A' ' 696' ' ' ILE . 30.8 t0 -49.52 112.42 0.64 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.894 0.378 . . . . 1.4 110.433 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' GLY . . . . . . . . . . . . . . . 95.97 36.33 5.28 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.63 -0.988 . . . . 0.3 110.63 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.86 114.9 24.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.345 -0.427 . . . . 1.15 110.802 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -95.77 108.49 20.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.398 -0.365 . . . . 2.35 110.022 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' ILE . . . . . 0.63 HG12 HD13 ' A' ' 659' ' ' LEU . 9.9 mt -106.58 130.33 58.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.533 . . . . 1.17 112.095 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' LYS . . . . . 0.455 ' HA ' ' HA2' ' A' ' 691' ' ' GLY . 7.5 mttt -94.18 115.74 28.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.446 -0.797 . . . . 1.72 109.3 178.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' ILE . . . . . 0.602 HG23 ' CD2' ' A' ' 622' ' ' HIS . 3.0 mt -79.12 -37.2 19.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.239 -0.437 . . . . 1.38 111.284 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' ILE . . . . . 0.667 ' CD1' HD12 ' A' ' 618' ' ' LEU . 0.6 OUTLIER -155.47 131.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.03 111.441 179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -136.39 123.53 21.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.52 110.8 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' ASP . . . . . 0.421 ' CG ' HD22 ' P' ' 831' ' ' LEU . 0.8 OUTLIER -120.49 117.2 27.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.861 0.362 . . . . 1.5 110.504 179.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -66.91 -46.78 73.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.507 . . . . 2.29 111.714 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -83.19 -40.43 19.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 1.92 111.564 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -75.72 -13.8 60.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.311 -0.404 . . . . 1.6 111.366 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.55 13.45 8.23 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.675 -0.239 . . . . 3.55 111.159 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' PHE . . . . . 0.79 ' CE1' HD13 ' A' ' 587' ' ' ILE . 1.0 OUTLIER -77.1 104.37 7.56 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.729 -0.841 . . . . 2.05 108.729 178.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 689' ' ' VAL . 2.9 p -114.69 123.03 69.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.228 0.537 . . . . 0.65 111.668 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' ILE . . . . . 0.609 HD13 ' OG ' ' A' ' 586' ' ' SER . 22.2 mm -128.14 155.27 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.55 -0.75 . . . . 1.05 110.442 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' A' ' 679' ' ' LYS . . . 175.85 128.98 1.16 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.653 -0.784 . . . . 0.29 112.415 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' PHE . . . . . 0.513 ' CE2' HD11 ' A' ' 592' ' ' LEU . 12.1 m-30 -113.22 142.32 45.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.669 0.271 . . . . 0.44 110.315 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' LYS . . . . . 0.687 ' HB2' HD22 ' A' ' 583' ' ' LEU . 19.1 tttt -101.31 116.87 33.8 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.002 0.43 . . . . 1.84 110.302 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' VAL . . . . . 0.817 HG21 HD13 ' A' ' 672' ' ' LEU . 2.7 t -81.12 125.43 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.758 -0.655 . . . . 0.19 110.593 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.02 108.68 9.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.062 0.458 . . . . 2.36 111.492 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' ILE . . . . . 0.683 HD12 ' HB2' ' A' ' 674' ' ' ASP . 44.6 mt -72.96 105.88 2.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.706 -0.679 . . . . 0.42 110.328 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.32 -47.62 7.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.079 0.466 . . . . 1.07 109.843 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' ASP . . . . . 0.458 ' O ' ' CD2' ' A' ' 577' ' ' PHE . 0.7 OUTLIER -111.54 142.27 44.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.625 -0.716 . . . . 1.75 110.643 179.279 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.67 100.43 8.47 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.5 0.667 . . . . 0.69 109.757 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' THR . . . . . . . . . . . . . 18.3 m -82.92 66.44 8.54 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.214 -0.903 . . . . 1.49 110.606 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' GLY . . . . . . . . . . . . . . . 75.86 45.6 16.26 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.645 -0.788 . . . . 0.84 111.993 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 645' ' ' ASP . 0.4 OUTLIER -91.15 128.17 36.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.613 0.244 . . . . 1.44 111.009 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' PHE . . . . . 0.833 ' HA ' HD13 ' A' ' 644' ' ' LEU . 8.1 p90 -44.49 -33.0 1.56 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.53 0.681 . . . . 1.83 110.24 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' ASN . . . . . 0.688 ' ND2' ' H ' ' A' ' 706' ' ' GLY . 0.4 OUTLIER -147.32 -46.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.833 -1.076 . . . . 1.9 109.128 179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.631 ' O ' HD13 ' A' ' 696' ' ' ILE . 15.6 pt-20 142.87 -50.13 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.498 -1.228 . . . . 1.81 108.106 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . 0.688 ' H ' ' ND2' ' A' ' 704' ' ' ASN . . . 165.17 77.92 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.689 -1.141 . . . . 1.59 112.036 178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' LEU . . . . . 0.531 ' HB2' ' ND2' ' A' ' 704' ' ' ASN . 0.5 OUTLIER -106.45 -10.69 16.19 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 117.085 0.443 . . . . 1.88 111.475 179.548 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 708' ' ' GLY . . . . . 0.544 ' HA3' ' NE2' ' A' ' 673' ' ' GLN . . . 39.53 87.68 0.01 OUTLIER Glycine 0 C--N 1.335 0.517 0 C-N-CA 121.398 -0.43 . . . . 2.72 113.164 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 709' ' ' MET . . . . . 0.518 ' HE3' ' O ' ' A' ' 709' ' ' MET . 0.0 OUTLIER -143.71 132.21 22.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 3.09 110.951 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 710' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -176.83 -173.49 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.145 -0.48 . . . . 5.92 110.819 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -52.6 -36.33 56.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.369 -0.378 . . . . 8.02 110.899 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -99.16 125.28 44.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 5.53 110.638 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -82.84 100.79 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 4.09 111.021 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' A' ' 670' ' ' PHE . 4.5 mmm-85 47.23 89.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.079 -0.51 . . . . 1.42 111.414 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' VAL . . . . . . . . . . . . . 3.0 m -124.87 143.46 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.995 -0.548 . . . . 0.68 110.746 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' VAL . . . . . 0.603 HG21 ' O ' ' A' ' 663' ' ' ARG . 58.9 t -86.37 129.96 37.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.369 -0.378 . . . . 1.15 111.142 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' LEU . . . . . . . . . . . . . 3.9 mp -100.62 169.7 8.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.83 110.815 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.14 158.09 16.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 2.56 111.106 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -96.48 156.34 16.38 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.5 . . . . 1.15 110.814 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' THR . . . . . . . . . . . . . 20.3 p -126.18 -173.92 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.75 111.291 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.28 64.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.6 111.158 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -49.06 79.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 2.51 110.813 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' GLU . . . . . 0.645 ' HA ' HD12 ' A' ' 726' ' ' LEU . 6.7 mt-10 -66.87 -47.38 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 2.56 110.837 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -55.7 -32.81 63.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 2.58 110.942 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.03 -37.93 81.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.048 -0.524 . . . . 1.63 111.013 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 723' ' ' GLU . 16.2 mt -57.26 -44.18 83.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.53 110.964 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.746 ' CG2' HG11 ' A' ' 621' ' ' VAL . 11.4 p -79.16 -23.31 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.65 111.192 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -54.18 -42.09 69.27 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.364 -0.38 . . . . 2.79 110.97 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -70.36 -27.05 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 2.33 110.909 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' LEU . . . . . 0.669 HD12 ' CG ' ' A' ' 602' ' ' PHE . 8.2 tt . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.284 -0.865 . . . . 1.49 110.95 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 826' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.864 0.364 . . . . 6.21 111.199 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 827' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -111.77 103.07 11.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 4.53 110.907 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 828' ' ' ILE . . . . . . . . . . . . . 27.1 mt -105.23 107.26 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 3.42 111.066 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 829' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 830' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -177.2 152.9 0.91 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 1.19 110.843 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 831' ' ' LEU . . . . . 0.421 HD22 ' CG ' ' A' ' 683' ' ' ASP . 43.2 mt -141.87 120.37 12.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 1.19 110.913 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 832' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.292 -0.861 . . . . 3.24 110.894 179.977 . . . . . . . . 0 0 . 1 stop_ save_