data_3rpb_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 3rpb _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.616 -0.194 . . . . 0.0 112.616 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -131.3 147.63 52.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.628 0.251 . . . . 0.0 110.537 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -122.98 128.58 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.585 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.577 HD11 ' CG ' ' A' ' 672' ' ' TRP . 16.2 tp -79.84 116.1 19.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.729 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 670' ' ' GLU . 53.9 t -113.38 128.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 26.5 p -110.36 111.52 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.469 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 17.2 mt -92.52 166.65 12.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 111.59 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.524 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.4 tmm? 171.74 127.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.191 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.542 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 50.2 t80 -107.83 136.32 47.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.951 0.405 . . . . 0.0 111.449 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.9 84.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.869 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.574 ' CG2' ' CD ' ' A' ' 665' ' ' LYS . 1.1 p -51.22 -39.66 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -46.56 58.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.301 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 554' ' ' GLN . 7.4 mm-40 -85.45 -18.75 32.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.05 39.36 32.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.382 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.542 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -151.67 173.6 30.94 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 6.6 tp -99.95 161.42 13.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.746 0.308 . . . . 0.0 110.633 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.591 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.3 mm -130.16 120.85 50.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.938 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.516 HG22 ' CE1' ' A' ' 613' ' ' TYR . 3.1 t -108.43 125.35 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.412 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -116.84 109.38 1.91 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.076 -1.059 . . . . 0.0 113.649 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.529 ' CD1' HD23 ' A' ' 582' ' ' LEU . 42.1 mm -87.39 93.95 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.523 ' CG2' HD21 ' A' ' 545' ' ' LEU . 2.0 mp -70.87 -75.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.542 ' HG3' ' CH2' ' A' ' 672' ' ' TRP . 2.2 ptm180 -157.07 174.91 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.876 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.495 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 1.6 p -131.56 161.12 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.01 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.489 HG12 ' CH2' ' A' ' 672' ' ' TRP . 18.7 m -147.9 152.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 112.34 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.23 46.78 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.319 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.529 ' CD1' ' HG3' ' A' ' 578' ' ' PRO . 19.5 mt -84.14 154.68 22.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.452 ' O ' ' OG ' ' A' ' 576' ' ' SER . . . -73.29 164.35 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.495 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.492 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.78 120.75 43.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.661 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -93.33 -19.07 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.151 -179.066 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -98.68 160.16 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.88 -5.62 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.248 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.79 -11.54 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.642 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.97 14.44 52.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.0 m-85 -125.95 -169.93 2.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.844 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.474 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 13.7 m -155.01 177.68 11.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.496 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 4.5 m-20 -127.7 56.84 21.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.537 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 39.1 Cg_endo -68.85 141.4 48.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 123.502 2.802 . . . . 0.0 115.299 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 15.6 p90 -136.79 162.13 34.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.227 -1.351 . . . . 0.0 107.625 177.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.564 HG22 ' CE2' ' A' ' 607' ' ' PHE . 40.9 t -114.98 132.25 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.632 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 3.0 mtpm? -114.37 136.77 52.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.527 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 611' ' ' PHE . 0.0 OUTLIER -122.85 139.01 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 111.785 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.566 ' CE2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.84 117.34 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.032 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.61 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 9.2 tp -97.9 126.77 43.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.783 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.566 ' HG2' ' CE2' ' A' ' 583' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.515 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.765 0.317 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 10.0 mttt -84.28 153.02 23.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 593' ' ' LYS . 17.7 m-70 -144.69 179.11 7.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.26 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.75 119.44 2.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.327 179.395 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.48 HG22 ' HB ' ' A' ' 580' ' ' VAL . 2.7 p -76.99 165.45 24.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -43.62 148.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.585 HG23 ' CG ' ' A' ' 632' ' ' TYR . 2.1 mm -80.19 122.73 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.493 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.526 ' HG2' ' CE1' ' A' ' 607' ' ' PHE . 2.7 mmpt? -93.25 71.23 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 4.8 mmtm -62.0 150.41 38.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.921 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.8 mmtt 41.59 66.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.855 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.55 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 4.6 t -179.44 143.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.204 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.488 ' CA ' ' HB2' ' A' ' 567' ' ' LEU . 13.0 mt -113.51 -12.38 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.83 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.412 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 1.1 m-80 -134.48 53.71 10.17 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.548 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 83.9 Cg_endo -81.22 -173.13 1.7 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.828 2.352 . . . . 0.0 113.021 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.523 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -135.31 115.98 13.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.365 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' A' ' 580' ' ' VAL . 80.4 m-85 -79.93 -60.07 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.158 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 562' ' ' ILE . 0.8 OUTLIER 59.9 45.48 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -107.1 131.05 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.016 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -105.71 114.73 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' A' ' 582' ' ' LEU . 55.8 m-85 -97.41 173.93 6.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.978 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.591 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.8 t80 -143.65 118.71 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.619 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.61 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.56 150.7 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.75 70.49 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.125 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.586 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.7 OUTLIER -131.48 143.21 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.653 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 619' ' ' ASP . 24.1 mmtp -72.2 131.39 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.564 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 30.4 t-80 -44.34 -42.79 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -23.34 63.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.99 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.533 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 4.6 m-20 -100.29 -29.08 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.586 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.82 -67.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.743 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.561 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -35.8 -59.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.933 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 619' ' ' ASP . 0.1 OUTLIER -61.29 -16.04 41.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.643 -179.055 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 620' ' ' LEU . 8.7 mmpt? -64.88 172.97 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.073 0.463 . . . . 0.0 111.217 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.8 p -150.54 100.78 2.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.244 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 646' ' ' LEU . 39.7 tp -79.76 121.71 25.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -104.2 95.27 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.72 106.84 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.49 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 5.0 m -118.59 139.74 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.118 0.485 . . . . 0.0 111.73 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.535 ' CG2' HD23 ' A' ' 675' ' ' LEU . 26.0 t -109.48 122.01 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.453 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 37.9 m95 -120.48 151.68 39.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 639' ' ' ASP . 0.6 OUTLIER -86.06 137.01 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.291 179.295 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.585 ' CG ' HG23 ' A' ' 598' ' ' ILE . 22.3 t80 -99.29 160.36 14.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.969 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 38.8 m-20 -155.32 127.78 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.55 134.58 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.987 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.48 2.76 51.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -163.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.26 167.73 10.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -80.17 -172.83 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 631' ' ' ASP . 37.5 m-20 -153.48 152.36 30.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.74 119.72 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.02 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 34.4 mt -100.71 -44.51 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.412 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 159.15 160.28 10.28 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.65 -162.52 13.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.587 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.59 165.04 26.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -112.29 137.09 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 673' ' ' HIS . 10.2 mt -128.04 96.95 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.061 0.458 . . . . 0.0 111.81 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -144.81 138.81 8.03 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.642 ' CD1' ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -53.04 -18.45 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 117.036 0.418 . . . . 0.0 111.366 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 18.8 t -71.68 -6.69 42.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.163 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.261 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.528 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 1.8 mtm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.632 0.253 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.579 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 26.9 tp -65.38 -36.01 82.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 1.3 pttp -63.69 -50.66 68.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.583 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 13.1 t-80 -69.71 -52.37 26.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.476 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.597 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.3 t-105 -60.05 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.113 0.482 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.642 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.6 OUTLIER -31.82 -59.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.923 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 656' ' ' LYS . 5.7 pt-20 -43.67 -38.28 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.181 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' A' ' 658' ' ' TRP . 23.2 t -51.59 -39.79 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 109.767 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.516 HD23 ' CB ' ' A' ' 621' ' ' ALA . 0.7 OUTLIER -62.33 -33.95 75.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 179.339 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -41.43 23.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.839 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 5.3 m120 -100.17 60.52 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.581 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.574 ' CD ' ' CG2' ' A' ' 552' ' ' THR . 1.9 mttt -53.4 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.331 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -18.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.394 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.1 OUTLIER -89.06 137.04 32.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.729 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.462 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 2.4 mtpt -79.65 123.15 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.581 HG21 ' CD2' ' A' ' 657' ' ' HIS . 1.1 mm -112.08 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.651 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 6.0 pm0 -112.98 154.57 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.08 0.467 . . . . 0.0 111.636 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.583 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -174.03 161.31 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.577 ' CG ' HD11 ' A' ' 545' ' ' LEU . 91.9 m95 -89.32 129.23 35.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.254 0.549 . . . . 0.0 112.227 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.581 ' CE1' HD23 ' A' ' 646' ' ' LEU . 26.8 m-70 -108.75 138.4 45.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.198 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -83.32 122.33 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.376 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.535 HD23 ' CG2' ' A' ' 629' ' ' VAL . 84.0 mt -67.39 137.16 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.083 0.468 . . . . 0.0 111.562 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -128.07 160.91 30.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 13.2 t30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.943 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.412 ' HG3' ' C ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER -138.51 145.33 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.1 OUTLIER -120.2 128.96 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 111.625 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.584 HD11 ' CG ' ' A' ' 672' ' ' TRP . 18.3 tp -79.61 121.68 25.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 88.5 t -115.04 132.23 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.503 ' N ' HD13 ' A' ' 562' ' ' ILE . 44.7 p -113.81 103.79 11.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 669' ' ' ILE . 13.9 mt -91.09 164.11 14.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 111.808 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.527 ' CG ' ' HA ' ' A' ' 668' ' ' LYS . 0.9 OUTLIER 174.36 128.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 665' ' ' LYS . 59.2 t80 -103.71 134.18 47.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.903 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' SER . . . . . 0.455 ' HB2' ' HG3' ' A' ' 554' ' ' GLN . 4.4 p -100.23 92.93 5.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.034 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.2 p -65.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 109.787 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.81 -43.18 69.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.945 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.455 ' HG3' ' HB2' ' A' ' 551' ' ' SER . 0.1 OUTLIER -90.83 -19.55 23.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.226 179.351 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 551' ' ' SER . . . 78.02 38.78 25.65 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.442 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -150.5 168.92 30.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.906 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.519 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 5.8 tp -94.51 154.91 17.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 0.0 110.498 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.561 ' CD1' ' CD1' ' A' ' 612' ' ' PHE . 1.6 mm -127.89 123.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.98 0.419 . . . . 0.0 110.901 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.517 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 3.0 t -113.43 120.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.646 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.458 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -112.06 119.9 5.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.539 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 608' ' ' ASN . 38.8 mm -95.53 97.74 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 607' ' ' PHE . 2.4 mp -73.28 -73.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -160.98 178.84 8.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.184 0.516 . . . . 0.0 111.921 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 7.0 p -135.0 159.5 41.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.829 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.448 HG12 ' CH2' ' A' ' 672' ' ' TRP . 28.2 m -142.09 147.83 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 53.05 54.71 9.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.399 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.535 HD11 ' CB ' ' A' ' 578' ' ' PRO . 11.1 mt -83.5 161.9 21.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.2 150.29 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.496 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -118.5 109.45 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.534 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 2.8 mtm -90.7 -20.08 22.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.41 158.31 36.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.651 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.96 0.78 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.407 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.56 -4.89 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 88.06 6.56 75.14 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.169 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.513 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -124.64 -169.15 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.003 0.43 . . . . 0.0 111.815 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.471 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.7 OUTLIER -155.95 171.45 20.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.47 ' HA ' ' O ' ' A' ' 599' ' ' LYS . 2.1 m-20 -117.52 58.32 2.48 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 109.381 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.535 ' CB ' HD11 ' A' ' 567' ' ' LEU . 33.4 Cg_endo -65.58 139.59 59.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 123.4 2.733 . . . . 0.0 114.964 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.9 p90 -139.33 161.37 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.315 -1.311 . . . . 0.0 107.701 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.523 ' CG1' HG21 ' A' ' 627' ' ' ILE . 22.0 t -114.41 130.31 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 119.837 -0.745 . . . . 0.0 112.737 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.569 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.95 133.94 55.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.303 178.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.472 HD12 ' CE1' ' A' ' 611' ' ' PHE . 0.1 OUTLIER -121.79 139.79 53.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.005 0.431 . . . . 0.0 111.826 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.559 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.6 t90 -148.91 117.51 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.626 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.1 tp -94.01 115.12 27.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 624' ' ' SER . 3.0 pttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.863 0.364 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.559 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.2 OUTLIER -64.4 160.37 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.1 m-70 -160.32 170.64 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.232 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.56 119.01 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.212 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.481 HG22 ' HB ' ' A' ' 580' ' ' VAL . 3.4 p -79.28 161.07 26.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -40.82 144.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.691 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.569 HG23 ' CG ' ' A' ' 632' ' ' TYR . 3.6 mm -77.9 126.8 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.363 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.532 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 11.6 mmpt? -92.49 72.6 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.26 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.552 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 35.2 mmtm -51.28 143.72 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.028 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 31.66 76.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.028 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.544 HG22 ' CG ' ' A' ' 605' ' ' PRO . 2.8 t -179.0 144.56 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.769 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 567' ' ' LEU . 15.5 mt -119.22 -12.29 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.557 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.2 OUTLIER -129.3 45.79 1.92 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.561 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 73.5 Cg_endo -74.64 -174.51 1.89 Allowed 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.966 2.444 . . . . 0.0 112.957 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.4 OUTLIER -132.81 115.84 15.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.28 179.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 562' ' ' ILE . 71.9 m-85 -80.93 -56.01 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' ILE . 5.2 t-20 49.63 46.74 23.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.256 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.446 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 9.5 mm-40 -107.74 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.78 114.28 27.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.784 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 42.4 m-85 -96.7 175.55 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.136 0.493 . . . . 0.0 111.721 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.561 ' CD1' ' CD1' ' A' ' 558' ' ' ILE . 3.9 t80 -147.27 118.25 7.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.721 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.626 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.16 148.24 24.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.691 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.75 69.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.989 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.575 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.8 OUTLIER -134.28 145.1 33.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.5 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -74.48 144.68 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.433 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.523 ' NE2' ' HD3' ' A' ' 665' ' ' LYS . 57.6 t-80 -53.71 -44.67 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -18.71 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.525 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 4.4 m-20 -101.48 -31.22 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.742 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.575 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -33.29 -68.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.889 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.557 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -37.55 -54.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.025 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -16.9 55.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.082 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.542 ' CE ' HD12 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -72.86 164.12 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.292 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' SER . . . . . 0.42 ' HB2' ' HE3' ' A' ' 585' ' ' LYS . 0.0 OUTLIER -145.21 103.39 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.911 179.327 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.43 ' N ' HD11 ' A' ' 584' ' ' LEU . 28.5 tp -79.07 154.68 29.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.801 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 4.2 t0 -132.19 96.29 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.523 HG21 ' CG1' ' A' ' 580' ' ' VAL . 1.9 mp -92.34 92.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.224 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.482 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.2 m -109.16 136.71 48.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.54 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.465 ' CG2' HD23 ' A' ' 675' ' ' LEU . 15.3 t -103.75 124.86 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.32 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 67.8 m95 -121.07 146.57 46.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.232 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.534 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.0 OUTLIER -86.27 118.43 25.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.045 0.45 . . . . 0.0 110.452 179.565 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.569 ' CG ' HG23 ' A' ' 598' ' ' ILE . 52.6 t80 -79.97 161.51 25.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.471 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.6 OUTLIER -160.11 119.02 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.052 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.41 133.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 80.57 -11.48 39.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.801 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -130.67 -176.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.1 m -80.0 -176.18 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.805 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.61 178.73 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.465 ' HB3' ' SD ' ' A' ' 570' ' ' MET . 37.9 m-20 -139.96 149.51 43.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -93.12 115.92 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.906 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 40.0 mt -96.24 -39.42 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.478 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 149.51 164.0 11.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.307 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -167.94 -163.04 21.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.739 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 674' ' ' GLN . 5.5 m -165.69 142.71 5.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.43 137.43 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.511 HD13 ' NE2' ' A' ' 673' ' ' HIS . 8.2 mt -120.24 96.74 5.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 111.362 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -145.99 146.11 15.87 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.57 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.625 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.0 OUTLIER -59.19 -13.3 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 120.815 0.341 . . . . 0.0 111.667 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -87.09 13.49 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.462 . . . . 0.0 109.949 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.476 -179.682 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.467 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 4.0 mtm180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.573 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 30.2 tp -57.55 -37.01 72.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.557 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 9.1 pttt -62.85 -55.52 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.647 ' CD2' ' CG ' ' A' ' 671' ' ' ARG . 4.7 t-160 -59.57 -56.7 18.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -59.63 -80.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.083 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.591 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.8 OUTLIER -38.65 -64.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.286 -179.579 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.549 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.9 pt-20 -45.14 -30.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.256 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 11.5 t -61.84 -39.36 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.5 OUTLIER -59.49 -31.69 69.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.132 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.474 ' CG ' ' OD1' ' A' ' 664' ' ' ASN . 0.7 OUTLIER -78.01 -41.63 35.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.779 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.544 ' HB3' ' CG ' ' A' ' 667' ' ' LYS . 33.5 m-20 -107.78 66.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.702 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.523 ' HD3' ' NE2' ' A' ' 617' ' ' HIS . 0.4 OUTLIER -67.69 -73.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -33.32 -31.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.67 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.544 ' CG ' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -108.27 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.704 0.287 . . . . 0.0 110.428 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.527 ' HA ' ' CG ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.81 175.75 10.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.456 0.646 . . . . 0.0 112.148 -178.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.62 ' CG2' ' CD2' ' A' ' 657' ' ' HIS . 0.9 OUTLIER -145.29 118.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.784 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.494 ' CG ' ' HB3' ' A' ' 547' ' ' SER . 5.2 mt-10 -114.4 130.95 56.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.148 0.499 . . . . 0.0 112.184 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.647 ' CG ' ' CD2' ' A' ' 657' ' ' HIS . 4.1 mmt180 -153.99 163.99 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.972 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.584 ' CG ' HD11 ' A' ' 545' ' ' LEU . 80.5 m95 -103.11 132.33 49.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.511 ' NE2' HD13 ' A' ' 646' ' ' LEU . 32.0 m-70 -115.47 129.32 56.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.515 ' OE1' ' CG ' ' A' ' 676' ' ' GLN . 0.0 OUTLIER -76.83 122.04 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.964 0.411 . . . . 0.0 110.342 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.478 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 90.8 mt -64.77 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.212 0.529 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.515 ' CG ' ' OE1' ' A' ' 674' ' ' GLN . 67.7 mt-30 -125.1 162.6 24.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.817 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.674 -0.17 . . . . 0.0 112.674 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 1.6 mtmm -132.49 158.19 42.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.48 HG13 HG23 ' A' ' 580' ' ' VAL . 0.0 OUTLIER -134.98 124.3 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.019 0.438 . . . . 0.0 111.653 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 672' ' ' TRP . 16.2 tp -79.7 120.58 24.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.449 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 74.6 t -118.31 137.22 52.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.529 ' CB ' ' HG3' ' A' ' 670' ' ' GLU . 2.1 p -112.89 120.01 39.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.51 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 14.8 mt -100.64 158.04 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 0.0 111.448 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.517 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.2 OUTLIER 175.67 125.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.457 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 41.2 t80 -104.34 131.06 52.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 111.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.09 77.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.1 p -44.04 -35.41 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.434 . . . . 0.0 110.263 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.2 tp60 -54.31 -56.61 16.82 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.508 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 1.8 mm-40 -73.71 -15.34 61.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.367 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.78 58.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -160.09 165.15 34.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.729 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.527 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 14.3 tp -89.06 158.91 17.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.664 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.572 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -126.45 124.51 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.922 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.517 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.2 t -114.19 123.16 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.7 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.97 115.45 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.323 -0.942 . . . . 0.0 113.407 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.531 HG13 ' CG2' ' A' ' 596' ' ' THR . 43.4 mm -92.09 94.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 607' ' ' PHE . 1.9 mp -72.84 -75.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.499 ' CB ' ' HG2' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -156.19 177.77 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 112.073 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 6.8 p -135.79 159.29 42.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.726 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 543' ' ' LYS . 32.8 m -147.68 145.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 112.42 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.9 t60 67.56 38.88 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.298 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' ' 578' ' ' PRO . 9.6 mt -76.51 156.05 33.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.331 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -77.17 166.49 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.949 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.501 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -120.84 119.58 33.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.491 ' N ' ' OG ' ' A' ' 576' ' ' SER . 9.3 mmt -90.97 -23.68 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.619 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -79.59 168.29 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.048 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -81.52 -10.58 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -81.25 -9.42 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.82 8.97 58.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.535 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -119.95 -168.7 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 111.726 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.51 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 0.9 OUTLIER -158.54 176.52 12.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.372 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.519 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.8 m-20 -122.2 57.31 8.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.539 ' CB ' HD11 ' A' ' 567' ' ' LEU . 37.3 Cg_endo -67.38 141.56 56.7 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 123.392 2.728 . . . . 0.0 115.327 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 11.4 p90 -139.89 162.57 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.119 -1.4 . . . . 0.0 107.545 177.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.527 ' CG1' HG21 ' A' ' 627' ' ' ILE . 21.6 t -114.47 137.38 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.661 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.598 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.5 mttp -116.99 132.39 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.772 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.47 HD23 HD12 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.81 134.99 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 111.431 -179.282 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.563 ' CD1' ' HB2' ' A' ' 592' ' ' ALA . 3.3 t90 -145.75 118.46 8.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.592 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 21.8 tp -91.18 108.11 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.563 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.852 0.358 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.477 ' HD3' ' HB2' ' A' ' 583' ' ' TRP . 13.2 mmtp -66.38 153.27 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 3.7 m-70 -153.66 169.96 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 111.469 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.34 127.14 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.254 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.531 ' CG2' HG13 ' A' ' 561' ' ' ILE . 1.4 p -86.8 164.76 16.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.387 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.515 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 2.7 pt20 -44.65 147.19 0.64 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.097 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.565 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.9 mm -80.26 132.36 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.935 0.398 . . . . 0.0 111.561 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.526 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -99.97 75.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.997 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.461 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 20.3 mmtp -55.22 145.64 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.085 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.426 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.9 OUTLIER 34.73 75.72 0.05 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.956 179.379 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.567 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 3.3 t 179.01 143.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 576' ' ' SER . 10.4 mt -117.79 -11.76 10.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 13.8 m-80 -131.36 47.76 3.13 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.479 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.553 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 72.0 Cg_endo -75.96 -170.66 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.082 2.521 . . . . 0.0 113.424 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.499 ' HG2' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -137.0 113.75 10.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.177 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 562' ' ' ILE . 68.4 m-85 -79.9 -58.26 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.195 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 1.5 t-20 55.53 46.4 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.342 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.43 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 13.3 mm-40 -106.61 136.57 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -107.8 115.26 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.532 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 28.7 m-85 -98.44 176.72 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.229 0.537 . . . . 0.0 112.071 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 558' ' ' ILE . 8.3 t80 -150.86 121.94 7.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.331 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.592 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.67 151.91 21.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 65.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.587 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.8 OUTLIER -128.64 143.41 41.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -73.26 132.18 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.512 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 52.3 t-80 -45.13 -47.23 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.025 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 37.7 t -57.58 -15.71 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.527 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 5.7 m-20 -105.93 -28.85 10.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.727 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.587 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.35 -67.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.559 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -35.84 -49.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.869 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -22.61 65.98 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.875 0.369 . . . . 0.0 111.579 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 620' ' ' LEU . 5.8 mmpt? -69.77 173.88 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.143 0.497 . . . . 0.0 111.364 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 91.0 p -146.73 105.12 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 646' ' ' LEU . 40.6 tp -79.51 114.18 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.058 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -104.49 100.65 10.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.527 HG21 ' CG1' ' A' ' 580' ' ' VAL . 2.3 mp -92.04 109.56 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.471 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 85.1 p -115.04 153.43 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.538 ' CG2' HD23 ' A' ' 675' ' ' LEU . 25.3 t -127.02 125.41 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.76 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.598 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 35.3 m95 -120.47 143.06 48.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.091 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.491 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -84.39 106.88 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 0.0 110.352 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 39.7 t80 -59.52 165.6 2.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.105 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 36.9 m-20 -158.77 119.03 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -78.46 137.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 61.78 15.43 48.16 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 634' ' ' ILE . 0.0 OUTLIER -155.5 -179.01 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.4 OUTLIER -80.95 155.73 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 1.1 m-80 -77.87 -162.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.475 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 28.2 m-20 -159.39 141.15 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.8 OUTLIER -82.99 115.7 21.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 60.6 mt -91.09 -40.5 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' A' ' 676' ' ' GLN . . . 154.33 169.23 18.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.696 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 676' ' ' GLN . . . -166.15 -179.81 39.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.26 158.88 43.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.471 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 7.6 pt20 -109.29 146.72 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.72 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' ' 673' ' ' HIS . 25.4 mt -137.47 91.63 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.9 145.17 17.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.871 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.601 HD12 ' CE2' ' A' ' 659' ' ' TYR . 1.5 tt -59.53 -13.04 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 120.818 0.342 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.7 t -86.07 12.38 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.222 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 646' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.999 0.428 . . . . 0.0 110.552 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.574 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 14.9 tp -90.17 -47.56 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.8 mttt -47.41 -66.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.321 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.64 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 14.2 t-160 -55.84 -52.98 62.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -61.15 -77.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.352 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.601 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -46.04 -64.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.271 -179.273 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.556 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.7 pt-20 -43.62 -31.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 12.7 t -63.18 -42.06 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.3 OUTLIER -54.0 -30.6 47.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.796 178.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -40.38 23.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.691 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.512 ' OD1' ' CD ' ' A' ' 667' ' ' LYS . 15.9 m-20 -100.11 68.82 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.55 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.512 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.6 OUTLIER -58.57 -79.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.454 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.13 -21.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.911 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.512 ' CD ' ' OD1' ' A' ' 664' ' ' ASN . 0.3 OUTLIER -97.79 131.34 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 0.0 110.791 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.506 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -80.37 163.23 24.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.494 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.64 ' CG2' ' CD2' ' A' ' 657' ' ' HIS . 1.0 OUTLIER -137.98 117.67 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.696 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.529 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 13.6 mp0 -108.39 131.71 54.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.391 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.426 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 0.2 OUTLIER -152.09 161.52 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.468 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.574 ' CD2' HD11 ' A' ' 545' ' ' LEU . 81.5 m95 -103.14 134.16 47.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.743 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.562 ' CE1' HD23 ' A' ' 646' ' ' LEU . 90.7 m-70 -120.43 129.36 53.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 68.0 mt-30 -75.84 120.18 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.538 HD23 ' CG2' ' A' ' 629' ' ' VAL . 97.7 mt -55.04 127.8 30.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.519 . . . . 0.0 111.527 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.526 ' HG3' ' N ' ' A' ' 677' ' ' ASN . 1.8 pt20 -106.79 -179.47 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.031 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . 0.526 ' N ' ' HG3' ' A' ' 676' ' ' GLN . 3.3 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 139.05 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.701 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 544' ' ' ILE . 0.0 OUTLIER -117.79 124.53 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.453 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.586 HD11 ' CG ' ' A' ' 672' ' ' TRP . 15.9 tp -79.64 122.52 26.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.641 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.445 HG23 HG22 ' A' ' 627' ' ' ILE . 52.7 t -120.96 137.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 560' ' ' GLY . 1.1 p -114.2 114.32 25.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.311 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 669' ' ' ILE . 7.0 mt -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.043 0.449 . . . . 0.0 111.348 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 558' ' ' ILE . 3.4 tmm? -179.53 136.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.7 t80 -112.31 132.45 54.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.975 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.65 87.41 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.496 ' CG2' ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -54.7 -38.5 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.051 0.453 . . . . 0.0 110.129 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.489 ' NE2' ' OG1' ' A' ' 552' ' ' THR . 0.0 OUTLIER -47.44 -45.45 25.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.953 179.321 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -90.83 -19.63 23.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.527 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 77.97 38.34 26.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.529 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -147.65 171.03 28.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.632 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.505 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.2 tp -96.26 161.48 13.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 110.697 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.3 mm -131.35 132.06 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.205 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.8 t -121.22 121.3 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.623 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.14 114.07 3.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.447 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.529 HG13 ' CG2' ' A' ' 596' ' ' THR . 28.0 mm -93.32 97.1 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.526 ' CD1' ' HG ' ' A' ' 545' ' ' LEU . 1.9 mp -75.81 -75.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.8 OUTLIER -160.62 173.29 15.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 112.007 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.0 OUTLIER -128.52 160.95 30.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.802 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 30.6 m -147.27 145.69 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.313 0.578 . . . . 0.0 112.548 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.533 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.28 51.37 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.675 179.199 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.479 HD11 ' HG3' ' A' ' 578' ' ' PRO . 35.3 mt -89.13 142.1 27.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.815 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -71.29 152.98 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.368 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 575' ' ' TYR . . . -112.27 108.73 18.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.532 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 3.1 mtm -85.53 -24.76 27.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.921 0.391 . . . . 0.0 110.988 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.3 156.12 35.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -75.11 1.46 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.28 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -91.9 -9.28 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.836 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.483 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.19 -0.76 64.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.248 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.519 ' N ' ' HB2' ' A' ' 569' ' ' ALA . 2.8 m-85 -123.26 -169.36 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.979 0.419 . . . . 0.0 111.823 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.477 ' N ' HD22 ' A' ' 603' ' ' LEU . 0.4 OUTLIER -149.55 170.38 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.971 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.535 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 45.0 m-20 -115.9 64.25 2.4 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.504 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 37.1 Cg_endo -67.21 135.66 37.84 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 123.088 2.525 . . . . 0.0 115.681 -177.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 35.3 p90 -144.36 161.01 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.156 176.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 595' ' ' LYS . 42.5 t -117.03 136.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 119.707 -0.797 . . . . 0.0 113.121 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HG3' ' CD1' ' A' ' 630' ' ' TRP . 6.3 mttt -115.96 133.25 56.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.5 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.524 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.7 135.46 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.814 0.34 . . . . 0.0 111.405 -179.44 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.582 ' CE3' ' HE3' ' A' ' 593' ' ' LYS . 5.6 t90 -144.44 121.26 11.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.995 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.3 tp -96.89 109.48 22.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.2 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.393 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.478 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.582 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 7.9 mmtm -83.65 157.98 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.76 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.3 m-70 -153.99 170.82 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 111.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.16 119.78 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.426 179.483 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.529 ' CG2' HG13 ' A' ' 561' ' ' ILE . 8.1 p -74.03 164.24 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.796 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -49.19 140.5 9.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.426 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.571 HG23 ' CG ' ' A' ' 632' ' ' TYR . 3.0 mm -81.18 119.52 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.525 ' HG2' ' CB ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -99.28 60.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.057 0.456 . . . . 0.0 110.261 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.1 OUTLIER -48.88 138.23 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -179.434 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 68.81 63.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.115 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.534 HG22 ' CG ' ' A' ' 605' ' ' PRO . 5.1 t 178.71 149.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 576' ' ' SER . 19.6 mt -119.63 -13.21 9.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -133.79 52.19 7.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.534 ' CG ' HG22 ' A' ' 602' ' ' THR . 96.1 Cg_endo -78.32 179.84 6.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 123.002 2.468 . . . . 0.0 112.961 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 25.3 tt0 -128.24 118.88 24.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.396 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 562' ' ' ILE . 51.8 m-85 -87.03 -61.37 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 561' ' ' ILE . 2.1 t-20 56.4 45.97 21.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.255 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.525 ' OE1' ' CG2' ' A' ' 558' ' ' ILE . 0.2 OUTLIER -103.41 121.53 42.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.437 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.541 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 30.1 m-85 -102.61 178.46 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.008 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.6 t80 -150.73 121.89 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.461 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.3 m-85 -101.7 154.18 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.533 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -109.08 65.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.583 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.9 OUTLIER -131.57 139.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.735 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 619' ' ' ASP . 1.1 mttt -72.21 131.27 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.456 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.0 t-80 -41.51 -51.71 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.0 m -52.24 -19.42 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.521 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 61.4 m-20 -102.43 -30.36 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.716 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.583 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.3 -66.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.646 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.553 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -39.91 -48.18 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.478 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.95 -17.31 64.58 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.186 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 584' ' ' LEU . 9.0 mmpt? -74.0 -177.33 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.374 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.14 102.99 1.45 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.982 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.448 HD23 HG12 ' A' ' 559' ' ' VAL . 18.8 tp -79.39 138.15 37.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.129 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.59 95.56 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.445 HG22 HG23 ' A' ' 546' ' ' VAL . 1.4 mp -90.69 104.31 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.466 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.0 m -117.96 143.56 46.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.796 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 579' ' ' PHE . 14.9 t -111.92 136.54 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.286 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.595 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 47.9 m95 -128.51 148.62 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.312 . . . . 0.0 111.832 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.532 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.8 OUTLIER -87.83 93.99 9.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.118 0.485 . . . . 0.0 109.868 178.381 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.642 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 26.7 t80 -53.23 162.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.5 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -159.3 124.37 4.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.71 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.72 138.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.99 -13.94 41.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.669 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 -166.71 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.021 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -79.64 173.15 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -89.66 -161.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 631' ' ' ASP . 16.3 m-20 -156.05 142.84 18.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.561 ' HA ' ' CE3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -87.06 114.57 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.431 HG12 ' CE ' ' A' ' 570' ' ' MET . 31.1 mt -91.02 -37.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.484 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 147.27 166.94 12.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 676' ' ' GLN . . . -165.17 -164.0 19.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.608 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 4.8 p -160.59 143.29 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.471 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 51.9 mt-30 -91.81 148.61 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' ' 645' ' ' GLN . 15.3 mt -137.5 84.7 2.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.192 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -128.88 145.47 16.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.63 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.598 ' HA ' ' CD1' ' A' ' 655' ' ' LEU . 1.3 tt -62.57 -10.88 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.0 111.437 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.8 t -92.51 16.5 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.913 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.292 -179.603 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.6 mtt-85 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.598 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 11.5 tp -73.12 -45.85 54.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 8.1 mttm -49.86 -62.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.476 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 10.9 t-160 -59.32 -52.96 63.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 59.8 t-105 -59.24 -78.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.264 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.59 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.11 -61.37 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.914 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 656' ' ' LYS . 12.8 pt-20 -41.98 -34.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 40.8 t -58.39 -41.53 85.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.167 0.508 . . . . 0.0 109.732 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.5 OUTLIER -58.12 -32.05 67.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.069 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -42.64 20.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 80.3 m-20 -101.15 66.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.468 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.555 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 15.8 mttt -65.46 -73.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.375 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -20.6 0.55 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.615 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -97.5 136.24 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.471 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.4 OUTLIER -79.99 142.76 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.4 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.53 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -111.18 158.12 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.341 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 11.8 mt-10 -159.34 125.25 4.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.427 ' HG2' ' C ' ' A' ' 670' ' ' GLU . 6.1 mmm180 -153.19 165.44 35.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.625 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.586 ' CG ' HD11 ' A' ' 545' ' ' LEU . 80.3 m95 -104.56 132.67 50.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.667 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.428 ' NE2' HD13 ' A' ' 646' ' ' LEU . 54.5 m-70 -116.73 129.56 56.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -76.88 105.08 7.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.254 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.484 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 92.4 mt -40.92 128.17 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.1 mt-30 -125.37 159.8 30.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.794 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.449 -0.465 0 CA-C-O 120.84 0.133 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.27 145.33 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.473 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -119.23 128.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.037 0.446 . . . . 0.0 111.825 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.528 HD12 ' NE1' ' A' ' 672' ' ' TRP . 17.8 tp -79.65 112.39 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 54.1 t -111.33 130.12 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.082 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 1.3 p -114.57 111.87 22.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.624 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 669' ' ' ILE . 41.6 mt -94.37 164.76 12.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.1 0.476 . . . . 0.0 111.256 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.2 ttt 176.51 123.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.576 ' CE1' ' HG ' ' A' ' 620' ' ' LEU . 50.1 t80 -102.45 130.35 49.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.026 0.441 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.61 82.78 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.62 -33.48 22.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.51 . . . . 0.0 109.907 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -52.38 -49.77 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.664 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -85.54 -15.56 42.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.983 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 73.79 40.4 45.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.396 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.53 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -152.02 173.85 31.14 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.435 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.6 tp -98.33 160.82 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -131.95 119.72 41.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.1 t -106.65 120.69 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -110.56 117.4 4.64 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.369 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 582' ' ' LEU . 10.4 mm -96.57 95.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 607' ' ' PHE . 1.9 mp -73.13 -71.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.6 OUTLIER -160.49 176.56 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 112.008 -179.066 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 4.6 p -133.54 159.79 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.812 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.42 ' O ' HG21 ' A' ' 565' ' ' VAL . 28.0 m -147.2 144.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.328 0.585 . . . . 0.0 112.565 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.534 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.7 OUTLIER 63.73 44.98 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.608 179.125 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.549 HD11 ' CB ' ' A' ' 578' ' ' PRO . 14.9 mt -81.1 157.01 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.881 0.372 . . . . 0.0 111.25 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -76.98 159.11 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.014 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.502 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.19 118.49 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.241 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.49 ' N ' ' OG ' ' A' ' 576' ' ' SER . 11.2 mmt -86.5 -22.14 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.666 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -89.26 157.58 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.39 -3.25 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.75 -11.74 56.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.782 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.502 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.5 7.38 59.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.9 m-85 -120.89 -168.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 111.702 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.527 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 0.8 OUTLIER -160.24 177.31 10.78 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.136 0.494 . . . . 0.0 111.417 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.547 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.5 m-20 -122.77 57.93 10.58 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.174 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.549 ' CB ' HD11 ' A' ' 567' ' ' LEU . 35.2 Cg_endo -66.27 138.05 49.78 Favored 'Trans proline' 0 C--O 1.23 0.099 0 C-N-CA 123.283 2.655 . . . . 0.0 115.015 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 630' ' ' TRP . 12.8 p90 -136.42 161.58 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.326 -1.307 . . . . 0.0 107.785 177.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.52 ' CG1' HG21 ' A' ' 627' ' ' ILE . 22.0 t -116.25 128.34 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 119.962 -0.695 . . . . 0.0 112.501 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.481 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -111.42 135.98 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.806 179.028 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.529 ' CD2' HD12 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.13 136.66 53.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 0.0 111.736 -179.118 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.529 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.0 t90 -143.05 115.86 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.926 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.606 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.4 tp -93.35 121.42 34.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.053 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 5.3 mttm . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.801 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.867 0.365 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 2.8 mttt -84.51 158.26 21.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 17.9 m-70 -153.36 174.43 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.539 . . . . 0.0 111.694 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.1 OUTLIER -161.14 115.33 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.916 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.471 HG22 ' HB ' ' A' ' 580' ' ' VAL . 5.4 p -72.98 156.9 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.254 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -40.05 144.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.576 HG23 ' CG ' ' A' ' 632' ' ' TYR . 3.9 mm -76.97 123.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.603 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.556 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -93.54 68.14 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.7 178.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.547 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 1.5 mttt -65.33 137.93 57.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.026 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.457 ' O ' ' HB ' ' A' ' 602' ' ' THR . 27.4 mmtt 64.85 57.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.962 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.571 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 5.0 t 179.0 145.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 111.375 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.527 ' CD2' ' HB2' ' A' ' 576' ' ' SER . 10.8 mt -118.72 -11.39 9.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.78 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 58.9 m-80 -131.27 47.85 3.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.409 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.554 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 79.8 Cg_endo -77.11 -172.64 1.5 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.025 2.483 . . . . 0.0 113.432 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.469 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.6 mt-10 -132.32 114.96 15.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.096 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.556 ' CD1' ' HD3' ' A' ' 599' ' ' LYS . 75.0 m-85 -80.03 -57.28 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.654 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.1 t30 52.45 46.8 26.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.004 0.43 . . . . 0.0 110.066 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.464 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 12.6 mm-40 -106.43 133.53 50.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.065 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 610' ' ' GLU . 0.2 OUTLIER -110.19 111.11 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 45.5 m-85 -94.58 171.43 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.162 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.3 t80 -143.58 121.31 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.561 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.606 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 7.5 m-85 -102.95 153.3 20.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -108.91 67.9 0.67 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.593 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.7 OUTLIER -135.97 136.15 49.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.46 141.14 54.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.289 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.578 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 56.4 t-80 -50.15 -45.61 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.975 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -23.52 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.525 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 0.9 OUTLIER -103.88 -31.16 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.749 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.593 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.76 -66.68 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.536 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.548 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -38.42 -54.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.484 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -62.56 -15.66 52.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.391 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.529 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 9.4 mmpt? -70.93 176.93 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.48 102.39 2.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.432 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 646' ' ' LEU . 58.8 tp -79.94 128.19 33.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.214 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -110.14 96.21 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.52 HG21 ' CG1' ' A' ' 580' ' ' VAL . 1.7 mp -92.2 100.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.755 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.491 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 58.0 p -113.08 136.99 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.126 0.488 . . . . 0.0 111.717 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.528 ' CG2' HD23 ' A' ' 675' ' ' LEU . 22.0 t -107.32 123.71 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.32 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 640' ' ' TYR . 31.8 m95 -123.75 148.62 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.408 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 639' ' ' ASP . 0.0 OUTLIER -85.17 113.93 21.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.002 0.429 . . . . 0.0 109.947 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.585 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 49.7 t80 -70.88 166.79 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.392 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.4 m-20 -160.03 126.49 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.588 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.443 ' N ' HD11 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -86.94 133.25 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 70.36 3.15 45.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.378 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -162.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 110.82 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.42 137.55 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . 0.401 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 6.6 p-10 -55.9 -166.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 631' ' ' ASP . 3.3 m-20 -157.56 145.0 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -84.27 119.14 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 18.2 mt -97.7 -42.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 153.07 158.79 8.71 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.486 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.54 -165.87 16.6 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.71 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -164.55 145.16 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.478 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 2.1 mt-30 -91.2 149.61 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 673' ' ' HIS . 15.7 mt -138.14 88.03 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 111.312 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -132.83 143.81 15.58 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.613 ' HA ' ' CD1' ' A' ' 655' ' ' LEU . 1.4 tt -61.49 -12.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-O 121.007 0.432 . . . . 0.0 111.403 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -89.23 15.57 8.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.217 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.285 -179.686 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.934 0.397 . . . . 0.0 110.682 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.613 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 12.2 tp -84.76 -43.61 14.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.138 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 3.6 mttp -49.63 -61.13 2.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.577 ' CD2' HG23 ' A' ' 669' ' ' ILE . 12.7 t-160 -64.17 -55.82 19.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 53.8 t-105 -52.77 -70.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.263 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.6 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -50.0 -61.35 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.077 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 17.4 pt-20 -43.54 -27.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.497 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.489 ' SG ' ' CB ' ' A' ' 548' ' ' LEU . 3.5 t -66.63 -42.5 86.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.2 OUTLIER -56.58 -27.69 58.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.309 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 660' ' ' GLU . 0.4 OUTLIER -79.2 -43.59 23.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.852 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.489 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -103.02 49.15 0.84 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.704 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.578 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 7.0 mtmt -47.36 -63.39 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.337 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.61 -11.78 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.804 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.489 ' HG3' ' OD1' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -106.8 147.75 29.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' A' ' 669' ' ' ILE . 1.5 ttpt -80.58 145.69 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.264 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.577 HG23 ' CD2' ' A' ' 657' ' ' HIS . 1.2 mt -136.28 122.86 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.483 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.7 OUTLIER -129.55 152.1 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 111.716 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.51 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.06 160.64 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.572 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.528 ' NE1' HD12 ' A' ' 545' ' ' LEU . 90.4 m95 -93.04 132.89 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.4 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.571 ' CE1' HD23 ' A' ' 646' ' ' LEU . 77.2 m-70 -113.84 131.08 56.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.54 108.09 12.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.612 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.528 HD23 ' CG2' ' A' ' 629' ' ' VAL . 64.6 mt -52.55 136.76 31.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.359 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.454 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 2.0 mt-30 -118.86 163.65 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.534 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER -135.39 135.8 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -111.66 129.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.426 . . . . 0.0 111.392 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.587 HD11 ' CG ' ' A' ' 672' ' ' TRP . 15.8 tp -80.98 116.06 20.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.432 HG23 HG22 ' A' ' 627' ' ' ILE . 54.4 t -115.98 130.64 70.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.287 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 1.3 p -115.03 117.32 30.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.4 mt -100.16 164.56 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.407 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.527 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.2 tmm? 174.34 127.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.467 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 557' ' ' LEU . 49.2 t80 -107.9 131.88 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.86 0.362 . . . . 0.0 110.744 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.6 t -99.97 80.67 2.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.131 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 553' ' ' GLN . 1.3 p -52.19 -41.23 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 552' ' ' THR . 0.0 OUTLIER -38.54 -41.79 0.7 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.519 ' HG3' ' N ' ' A' ' 555' ' ' GLY . 0.0 OUTLIER -99.17 -39.59 8.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.035 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . 0.519 ' N ' ' HG3' ' A' ' 554' ' ' GLN . . . 104.92 31.3 4.5 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.567 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.481 ' C ' ' CE2' ' A' ' 550' ' ' TYR . . . -133.11 163.27 24.3 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.815 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.52 ' HA ' ' CD2' ' A' ' 550' ' ' TYR . 11.7 tp -94.69 156.24 16.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.398 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.557 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.0 OUTLIER -129.12 128.92 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.025 0.44 . . . . 0.0 110.972 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.8 t -118.28 121.2 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.639 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -113.39 117.69 4.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.428 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.538 ' CD1' HD22 ' A' ' 582' ' ' LEU . 7.4 mm -97.44 95.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.523 ' CB ' HD21 ' A' ' 545' ' ' LEU . 2.1 mp -70.34 -71.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.11 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -164.67 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 112.081 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 4.1 p -131.18 159.97 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.724 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.437 HG12 ' CH2' ' A' ' 672' ' ' TRP . 31.2 m -145.35 146.37 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.241 0.543 . . . . 0.0 112.329 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 57.57 55.63 5.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.425 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.535 HD11 ' CB ' ' A' ' 578' ' ' PRO . 26.9 mt -89.53 149.52 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.773 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -73.3 148.65 43.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.396 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.509 ' HB2' ' N ' ' A' ' 575' ' ' TYR . . . -113.81 109.83 19.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.538 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 2.3 mtm -86.04 -25.56 25.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.984 0.421 . . . . 0.0 110.765 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.17 150.53 48.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.615 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.9 -6.85 23.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -83.33 -10.37 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.98 4.82 64.65 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.222 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.509 ' N ' ' HB2' ' A' ' 569' ' ' ALA . 2.9 m-85 -124.85 -169.2 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.932 0.396 . . . . 0.0 111.795 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 0.6 OUTLIER -152.7 176.56 11.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.154 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.536 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 3.5 m-20 -123.63 62.02 23.54 Favored Pre-proline 0 N--CA 1.463 0.196 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.535 ' CB ' HD11 ' A' ' 567' ' ' LEU . 37.6 Cg_endo -68.17 144.07 61.66 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.15 2.566 . . . . 0.0 115.289 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 581' ' ' LYS . 19.7 p90 -144.73 162.02 37.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.399 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 595' ' ' LYS . 24.4 t -114.62 129.08 71.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 119.756 -0.778 . . . . 0.0 112.851 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.635 ' CD ' ' CD1' ' A' ' 630' ' ' TRP . 0.1 OUTLIER -111.56 130.09 55.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.526 178.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.538 HD22 ' CD1' ' A' ' 561' ' ' ILE . 0.0 OUTLIER -124.71 133.84 53.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.581 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 5.6 t90 -141.32 116.35 9.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 613' ' ' TYR . 6.8 tp -95.52 120.71 36.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.584 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.756 0.312 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.581 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.0 OUTLIER -92.51 164.69 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 22.7 m-70 -160.57 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.526 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.507 ' HG3' ' CG ' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -160.05 110.68 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.466 HG23 HG23 ' A' ' 561' ' ' ILE . 10.9 p -65.26 150.16 48.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.965 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 596' ' ' THR . 3.3 mt-30 -38.91 139.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.579 HG23 ' CG ' ' A' ' 632' ' ' TYR . 1.7 mm -75.89 119.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.535 ' HG2' ' CB ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -96.82 74.82 2.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -64.73 139.11 58.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 65.76 61.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.747 179.342 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.532 ' CG2' ' HB3' ' A' ' 605' ' ' PRO . 4.8 t -178.93 147.69 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 111.216 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 16.7 mt -119.46 -12.58 9.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.887 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.5 OUTLIER -132.76 49.64 4.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.431 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.535 ' CB ' ' HG2' ' A' ' 599' ' ' LYS . 73.2 Cg_endo -75.7 -176.99 3.27 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 123.05 2.5 . . . . 0.0 112.976 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.5 tm-20 -127.28 121.26 30.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.404 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 562' ' ' ILE . 60.0 m-85 -87.03 -58.33 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.224 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 561' ' ' ILE . 39.8 t30 49.21 46.13 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.299 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.31 121.67 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.388 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -97.21 114.44 26.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 46.1 m-85 -96.81 178.67 5.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.228 0.537 . . . . 0.0 111.717 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.557 ' CE1' HD12 ' A' ' 558' ' ' ILE . 14.1 t80 -152.44 129.2 10.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.657 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 8.8 m-85 -108.07 156.76 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.62 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.05 58.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.084 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.589 ' CG1' HD21 ' A' ' 620' ' ' LEU . 0.8 OUTLIER -121.11 142.41 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.418 ' N ' HG13 ' A' ' 615' ' ' ILE . 24.2 mttt -76.33 132.03 39.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.478 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.518 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 56.5 t-80 -42.66 -46.44 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 13.7 m -53.1 -24.46 10.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.54 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 4.7 m-20 -101.57 -27.99 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.589 HD21 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -35.44 -67.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 179.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.555 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -34.82 -57.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.772 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -62.34 -18.74 62.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.589 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 620' ' ' LEU . 11.4 mmpt? -64.18 170.93 3.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.107 0.48 . . . . 0.0 111.22 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 79.1 p -151.65 102.87 2.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.394 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 646' ' ' LEU . 38.0 tp -85.91 123.28 31.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.095 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 645' ' ' GLN . 14.7 t0 -107.28 100.38 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' A' ' 646' ' ' LEU . 3.2 mp -92.54 101.33 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.475 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.5 m -115.96 132.65 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 579' ' ' PHE . 10.1 t -102.33 126.13 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.041 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.635 ' CD1' ' CD ' ' A' ' 581' ' ' LYS . 34.5 m95 -124.4 149.65 46.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.966 0.412 . . . . 0.0 111.829 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.538 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.7 OUTLIER -84.88 111.91 20.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.13 179.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 28.8 t80 -74.54 164.65 26.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.316 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 19.6 m-20 -160.03 127.59 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.12 137.21 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . 0.448 ' O ' ' HD3' ' A' ' 636' ' ' LYS . . . 73.23 -1.23 43.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.833 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 635' ' ' GLY . 8.9 mmtm -138.59 -173.64 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.0 OUTLIER -80.05 -169.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 638' ' ' ASN . 0.0 OUTLIER -105.92 176.2 5.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 74.5 m-20 -135.55 145.71 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.682 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.601 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.52 110.09 20.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 111.038 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 54.2 mt -88.35 -38.79 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.515 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 153.55 165.34 13.49 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.058 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.97 -167.51 27.76 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.016 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.48 147.11 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.597 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.473 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 0.5 OUTLIER -94.84 163.54 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.569 HD23 ' CE1' ' A' ' 673' ' ' HIS . 38.5 mt -150.38 88.45 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.072 0.463 . . . . 0.0 111.479 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.59 144.58 15.7 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.625 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.3 tt -56.64 -15.8 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.982 0.391 . . . . 0.0 111.695 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 3.4 t -77.89 1.26 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.319 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.522 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.333 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.522 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.957 0.408 . . . . 0.0 110.762 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.564 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 23.1 tp -86.32 -46.25 10.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.527 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 10.1 pttt -56.05 -52.76 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.579 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 6.0 t-160 -62.53 -59.28 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.202 0.525 . . . . 0.0 110.584 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.7 t-105 -59.25 -82.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.239 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.579 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.98 -64.4 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.645 -179.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.59 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 3.3 pt-20 -44.91 -33.56 2.03 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.932 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 658' ' ' TRP . 21.4 t -58.82 -42.42 89.16 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.524 HD22 ' CB ' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -55.85 -29.64 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.05 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -83.04 -40.27 20.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.005 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.462 ' OD1' ' HE3' ' A' ' 667' ' ' LYS . 7.5 m-20 -98.27 42.17 1.1 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.518 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.1 OUTLIER -46.19 -65.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.053 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -58.39 -14.91 8.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 549' ' ' MET . 8.4 mtmt -102.65 151.55 22.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.726 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.469 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -90.83 149.36 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.076 0.465 . . . . 0.0 111.348 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.59 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -137.65 120.96 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 18.6 pm0 -129.99 148.63 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.579 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -166.74 163.22 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.587 ' CG ' HD11 ' A' ' 545' ' ' LEU . 88.2 m95 -96.28 131.58 42.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.073 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.577 ' CE1' ' HD2' ' A' ' 671' ' ' ARG . 38.7 m-70 -109.72 132.07 54.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.5 100.23 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.04 0.448 . . . . 0.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.515 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 91.1 mt -44.67 128.77 6.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.581 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.456 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 1.1 mt-30 -120.78 175.92 5.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.487 ' HD3' ' CG2' ' A' ' 565' ' ' VAL . 0.1 OUTLIER -135.34 141.34 45.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 0.0 110.572 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -118.54 126.7 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.967 0.413 . . . . 0.0 111.466 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.583 HD11 ' CG ' ' A' ' 672' ' ' TRP . 15.5 tp -79.89 120.15 23.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.727 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.68 130.66 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 62.4 p -114.89 105.62 13.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 669' ' ' ILE . 30.6 mt -85.79 162.47 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.386 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.521 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.6 OUTLIER 175.35 123.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.32 179.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.471 ' HB3' ' HG2' ' A' ' 665' ' ' LYS . 45.1 t80 -100.17 128.86 46.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 111.241 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.56 77.99 1.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.822 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.5 p -44.7 -42.75 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 109.989 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -46.55 59.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.041 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -82.14 -18.97 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.66 34.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.534 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -159.45 166.2 34.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.7 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.526 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.1 tp -90.28 159.29 16.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.325 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.561 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -129.72 119.64 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.188 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.52 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.1 t -105.58 117.72 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.471 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -104.0 106.6 2.82 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.727 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.523 ' CD1' HD23 ' A' ' 582' ' ' LEU . 32.7 mm -87.62 91.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 607' ' ' PHE . 2.0 mp -71.28 -77.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.529 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 4.5 ptp180 -159.14 168.09 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 111.854 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.502 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 0.9 OUTLIER -123.08 161.4 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.009 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.487 ' CG2' ' HD3' ' A' ' 543' ' ' LYS . 22.5 m -145.61 149.85 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.231 0.539 . . . . 0.0 112.167 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.519 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 2.2 t-80 55.5 48.58 18.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.306 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.546 HD11 ' CB ' ' A' ' 578' ' ' PRO . 28.2 mt -83.2 144.09 30.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.761 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.14 150.08 47.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.465 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.51 ' HB2' ' N ' ' A' ' 575' ' ' TYR . . . -115.92 109.15 17.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.023 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.531 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 2.9 mtm -86.89 -22.06 25.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 110.861 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.31 150.17 46.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.553 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.19 -7.19 21.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.279 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -83.44 -10.04 58.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.72 5.0 65.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.226 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.51 ' N ' ' HB2' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.81 -169.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 111.878 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.505 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 0.6 OUTLIER -153.41 170.1 21.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.126 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.467 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 46.5 m-20 -117.81 59.89 3.22 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.546 ' CB ' HD11 ' A' ' 567' ' ' LEU . 41.5 Cg_endo -68.2 142.75 56.56 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.386 2.724 . . . . 0.0 115.752 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.647 ' CE2' ' CE ' ' A' ' 581' ' ' LYS . 13.5 p90 -141.92 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.367 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.49 ' CG1' HG21 ' A' ' 627' ' ' ILE . 28.2 t -112.62 134.84 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.829 -0.749 . . . . 0.0 112.477 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.647 ' CE ' ' CE2' ' A' ' 579' ' ' PHE . 2.6 mttp -115.83 134.66 54.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.922 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.9 136.78 53.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.009 0.433 . . . . 0.0 111.477 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.567 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.8 t90 -145.55 118.08 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.953 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 14.5 tp -94.4 110.47 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.983 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 583' ' ' TRP . 5.5 mttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.919 0.39 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.567 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.7 mmtp -70.39 155.73 40.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.584 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.543 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 14.9 m-70 -156.0 166.44 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 111.373 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.534 ' CG ' ' HD3' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.38 110.6 2.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.51 ' CG2' HG13 ' A' ' 561' ' ' ILE . 7.3 p -68.01 157.14 35.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.465 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 1.1 pt20 -40.36 151.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.192 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.564 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.4 mm -84.89 121.43 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.334 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.536 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 2.1 mmpt? -90.31 76.29 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.105 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.569 ' HE3' ' CD1' ' A' ' 632' ' ' TYR . 8.4 mmtm -53.8 146.52 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.15 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.39 73.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.371 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.539 HG22 ' CG ' ' A' ' 605' ' ' PRO . 2.7 t -177.67 144.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.763 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 567' ' ' LEU . 15.6 mt -118.68 -12.56 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 2.7 m-80 -127.85 46.91 2.31 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 87.1 Cg_endo -78.26 178.55 7.45 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.863 2.376 . . . . 0.0 113.15 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.529 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 22.6 tt0 -130.76 113.73 14.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 562' ' ' ILE . 66.0 m-85 -79.65 -56.69 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 23.6 t-20 55.46 46.04 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.044 0.449 . . . . 0.0 110.06 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.29 120.16 41.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.337 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.66 106.04 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.438 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 19.8 m-85 -86.84 171.53 10.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.829 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.2 t80 -144.45 122.83 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.38 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 7.2 m-85 -103.0 152.25 21.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -106.07 65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.59 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.8 OUTLIER -134.78 139.7 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.599 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.417 ' HA ' ' OH ' ' A' ' 550' ' ' TYR . 1.7 mmmp? -74.74 136.07 41.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.573 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 55.9 t-80 -43.55 -51.24 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.7 m -49.01 -22.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.522 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 8.4 m-20 -104.45 -30.81 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.814 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.59 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.7 -67.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.616 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.546 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -37.14 -55.55 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.818 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -62.96 -17.37 61.92 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.303 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.528 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 9.2 mmpt? -67.84 178.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 111.066 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.6 p -153.88 103.0 2.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.399 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 646' ' ' LEU . 33.1 tp -80.4 140.45 36.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.936 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 2.9 t70 -124.5 97.71 5.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.49 HG21 ' CG1' ' A' ' 580' ' ' VAL . 1.9 mp -92.11 96.8 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.481 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 53.6 p -111.98 131.35 55.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.444 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 579' ' ' PHE . 10.5 t -104.0 127.16 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.188 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.594 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 44.1 m95 -123.22 147.56 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.422 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.531 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.2 OUTLIER -86.25 110.69 19.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 30.0 t80 -61.6 164.05 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.1 OUTLIER -159.31 128.44 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.433 HD11 HG22 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -89.55 141.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.7 -3.83 54.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -167.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 0.1 OUTLIER -80.02 -174.91 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 -166.1 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 631' ' ' ASP . 21.1 m-20 -147.31 144.92 29.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.92 108.5 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.522 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 67.3 mt -87.39 -39.98 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.474 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 151.35 165.4 12.89 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -170.13 -160.21 17.9 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.581 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.61 154.28 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.468 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 5.9 mt-30 -97.73 157.2 16.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 625' ' ' LEU . 26.1 mt -143.69 93.55 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.244 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.44 141.56 11.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.106 -0.568 . . . . 0.0 111.744 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.608 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.0 OUTLIER -57.2 -13.79 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.149 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 2.9 t -88.03 15.63 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 109.962 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.355 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.514 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.971 0.415 . . . . 0.0 110.641 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.563 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 30.0 tp -90.28 -52.3 5.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 11.4 mttm -48.86 -62.69 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.259 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.592 ' CD2' HG23 ' A' ' 669' ' ' ILE . 5.6 t-80 -54.2 -56.36 19.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 0.0 110.586 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -60.4 -78.43 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.189 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.598 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -42.29 -64.93 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.393 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.554 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -44.33 -30.57 0.85 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.092 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 8.0 t -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.3 OUTLIER -58.45 -25.55 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.23 178.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -44.04 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.076 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 1.9 m-20 -100.58 39.38 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.573 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -37.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.2 -22.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 17.8 mmtm -94.69 142.48 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 0.0 110.77 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -79.57 137.43 37.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 111.126 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.592 HG23 ' CD2' ' A' ' 657' ' ' HIS . 0.8 OUTLIER -123.78 114.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.478 179.748 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.503 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.2 OUTLIER -120.51 150.01 41.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 111.608 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.59 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -172.11 145.63 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.919 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.583 ' CG ' HD11 ' A' ' 545' ' ' LEU . 92.1 m95 -81.33 131.36 35.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.406 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 671' ' ' ARG . 78.7 m-70 -110.84 130.48 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.36 107.68 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.474 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 90.0 mt -49.93 129.32 20.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.182 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -117.79 164.9 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.807 -0.117 . . . . 0.0 112.807 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -132.74 139.94 47.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.47 HG13 HG23 ' A' ' 580' ' ' VAL . 0.0 OUTLIER -117.74 127.8 75.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.581 HD11 ' CD1' ' A' ' 672' ' ' TRP . 17.3 tp -80.27 131.11 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.562 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 50.7 t -130.46 135.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.474 ' HB3' ' HG3' ' A' ' 670' ' ' GLU . 26.3 p -115.48 111.15 20.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.397 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 658' ' ' TRP . 16.1 mt -91.45 164.22 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.936 0.398 . . . . 0.0 111.43 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 558' ' ' ILE . 0.8 OUTLIER 175.38 138.16 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.034 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.54 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 46.1 t80 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 111.223 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.28 82.55 2.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.48 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.0 OUTLIER -50.38 -33.2 19.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.311 0.577 . . . . 0.0 109.843 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.38 -48.15 77.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.687 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 612' ' ' PHE . 21.4 mt-30 -83.49 -16.25 46.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.933 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.57 40.36 54.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.446 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.68 166.8 32.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.61 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.54 ' HA ' ' CD1' ' A' ' 550' ' ' TYR . 12.5 tp -92.77 159.27 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -128.01 123.77 61.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.002 0.429 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 4.9 t -112.85 119.41 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -109.87 122.24 6.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.597 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.527 ' CD1' HD23 ' A' ' 582' ' ' LEU . 33.4 mm -102.57 97.71 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.506 HD12 ' CG ' ' A' ' 670' ' ' GLU . 2.8 mp -73.81 -75.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -159.55 172.41 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 111.92 -179.088 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 2.3 p -128.69 159.64 34.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.042 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 34.1 m -142.17 145.53 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.518 . . . . 0.0 112.348 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.68 56.34 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.318 179.541 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.528 HD11 ' CB ' ' A' ' 578' ' ' PRO . 47.1 mt -88.93 151.13 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.38 155.11 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.41 118.2 36.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.495 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -85.9 -21.07 28.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.94 162.92 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.2 -5.21 48.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -11.09 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.746 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.81 6.44 59.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.569 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -120.93 -168.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.785 0.326 . . . . 0.0 111.747 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.47 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.5 OUTLIER -158.2 175.94 13.12 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.063 0.458 . . . . 0.0 111.639 -179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.476 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 6.2 m-20 -119.98 58.07 5.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.528 ' CB ' HD11 ' A' ' 567' ' ' LEU . 37.4 Cg_endo -67.27 146.05 74.27 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 123.489 2.793 . . . . 0.0 115.473 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.587 ' CE2' ' HD2' ' A' ' 581' ' ' LYS . 16.1 p90 -145.4 159.93 42.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.804 -1.544 . . . . 0.0 107.756 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.52 HG22 ' CE2' ' A' ' 607' ' ' PHE . 25.6 t -109.3 133.1 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.871 -0.731 . . . . 0.0 111.958 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -118.23 130.74 56.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.171 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.545 HD12 ' CE1' ' A' ' 611' ' ' PHE . 0.0 OUTLIER -120.68 142.07 49.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.537 -178.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.56 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.7 t90 -148.69 113.49 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.186 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.582 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 12.0 tp -90.59 137.44 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.791 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 623' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.794 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.689 0.281 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.521 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 24.3 mttt -70.41 158.15 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.517 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 16.3 m-70 -143.24 173.31 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 0.0 OUTLIER -155.99 114.64 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.22 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.493 HG22 ' HB ' ' A' ' 580' ' ' VAL . 5.1 p -73.16 164.84 26.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.246 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.523 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 7.3 pt20 -43.93 139.6 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.591 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -80.87 122.95 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.53 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -100.82 80.31 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.272 0.558 . . . . 0.0 109.939 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.58 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 13.6 mmtm -50.62 152.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.123 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt 32.04 77.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.357 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.565 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 2.5 t -178.99 141.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 9.2 mt -116.82 -11.98 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.521 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 21.1 m-80 -129.71 49.33 4.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.556 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 98.2 Cg_endo -79.48 -178.7 4.78 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 123.013 2.475 . . . . 0.0 113.11 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.4 tm-20 -132.62 117.02 17.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.322 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.52 ' CE2' HG22 ' A' ' 580' ' ' VAL . 55.4 m-85 -85.2 -57.63 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.309 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 561' ' ' ILE . 16.9 t-20 53.2 49.46 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.073 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.435 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 6.6 mm-40 -108.11 132.64 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.251 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -106.45 112.78 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 582' ' ' LEU . 41.3 m-85 -93.33 172.75 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.537 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.0 t80 -144.55 123.59 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.294 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.582 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 8.3 m-85 -105.73 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.76 63.49 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.57 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.8 OUTLIER -127.47 138.76 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.671 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.21 131.88 44.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.244 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.596 ' CD2' ' HE2' ' A' ' 665' ' ' LYS . 57.1 t-80 -43.81 -46.01 7.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -25.17 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.529 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 1.2 m-20 -100.57 -29.37 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.57 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.88 -68.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.812 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.544 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -34.78 -53.88 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.075 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.0 67.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.496 -179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 620' ' ' LEU . 9.3 mmpt? -62.37 167.39 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.44 102.23 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.39 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 646' ' ' LEU . 48.8 tp -79.85 122.75 27.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.136 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -106.85 97.85 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 3.1 mp -91.13 103.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.468 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 31.0 m -118.29 133.23 56.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.113 0.482 . . . . 0.0 111.804 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.523 ' CG2' HD23 ' A' ' 675' ' ' LEU . 6.9 t -101.11 126.38 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.088 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.659 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 37.4 m95 -124.52 148.21 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.565 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.495 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -85.69 116.96 24.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 50.7 t80 -66.69 167.78 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.502 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.624 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 3.2 m-20 -159.04 123.13 3.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.602 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -86.17 128.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.21 -6.04 57.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.586 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -137.51 -173.76 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -82.8 159.59 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . 0.458 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 19.0 m120 -78.71 -177.38 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.468 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 40.4 m-20 -139.81 150.37 44.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.659 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.81 114.15 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 578' ' ' PRO . 11.3 mt -90.8 -39.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.867 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.476 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 151.82 160.1 9.32 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.331 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -160.2 -169.25 23.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.825 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.96 148.08 16.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.345 . . . . 0.0 110.586 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.469 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 56.2 mt-30 -96.03 147.3 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.549 HD23 ' CE1' ' A' ' 673' ' ' HIS . 22.0 mt -135.33 88.9 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -133.45 145.07 17.14 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.614 ' HA ' ' CD1' ' A' ' 655' ' ' LEU . 1.3 tt -60.13 -13.14 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 116.983 0.391 . . . . 0.0 111.573 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -86.38 13.27 8.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.15 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.319 -179.679 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 2.7 mtt-85 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.946 0.403 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.614 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 18.4 tp -80.34 -48.81 12.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 13.2 mttm -50.22 -45.08 53.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.036 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.526 ' CD2' HG23 ' A' ' 669' ' ' ILE . 19.9 t-160 -74.68 -67.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.975 0.417 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 42.6 t-105 -43.31 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.766 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.596 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -40.04 -54.24 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.474 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 669' ' ' ILE . 7.3 mm-40 -37.41 -46.13 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.525 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.521 ' O ' ' NZ ' ' A' ' 665' ' ' LYS . 34.6 t -50.2 -40.45 47.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.307 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.6 OUTLIER -64.96 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.969 179.598 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.456 ' HD2' ' OE2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -78.32 -39.19 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.416 ' ND2' ' CG ' ' A' ' 663' ' ' LYS . 65.6 m-80 -116.86 102.61 9.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.288 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.596 ' HE2' ' CD2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -89.01 -72.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.588 -179.697 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -39.36 -28.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.4 mtmt -105.1 146.55 28.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.477 ' CE ' ' OE1' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -98.34 162.93 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.37 -179.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.527 HG22 HD11 ' A' ' 669' ' ' ILE . 0.6 OUTLIER -123.39 114.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.202 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.506 ' CG ' HD12 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -103.94 131.23 51.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.935 0.398 . . . . 0.0 111.167 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.524 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 2.2 mmt-85 -154.09 162.8 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.502 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.581 ' CD1' HD11 ' A' ' 545' ' ' LEU . 78.8 m95 -103.75 132.6 49.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.725 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.549 ' CE1' HD23 ' A' ' 646' ' ' LEU . 69.5 m-70 -114.21 129.77 56.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 676' ' ' GLN . 4.1 mt-30 -78.21 102.02 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.523 HD23 ' CG2' ' A' ' 629' ' ' VAL . 88.1 mt -44.51 129.28 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 674' ' ' GLN . 8.6 mm100 -120.07 166.57 13.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.629 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 12.3 t30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.423 0 N-CA-C 112.709 -0.156 . . . . 0.0 112.709 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 7.6 mtmt -130.53 137.75 49.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.537 HD11 HG22 ' A' ' 544' ' ' ILE . 0.0 OUTLIER -114.02 126.84 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 111.409 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 544' ' ' ILE . 14.0 tp -79.28 116.58 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.759 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.454 HG23 HG22 ' A' ' 627' ' ' ILE . 42.7 t -119.49 135.97 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 30.3 t -115.71 144.13 44.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.672 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.522 ' CD1' ' HA ' ' A' ' 658' ' ' TRP . 15.4 mt -117.35 162.08 18.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 111.174 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.535 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.9 OUTLIER 176.45 114.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.47 ' HB3' ' HG3' ' A' ' 665' ' ' LYS . 47.1 t80 -95.51 132.52 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 111.151 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.81 79.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.3 p -45.69 -41.25 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -47.01 60.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.201 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.24 -19.03 37.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.5 38.75 32.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.43 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.96 170.45 34.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.633 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.517 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 7.0 tp -94.57 155.12 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 0.0 110.627 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.589 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.6 mm -123.77 119.56 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.889 0.376 . . . . 0.0 110.714 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.507 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 1.8 t -106.33 121.05 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.39 111.42 3.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.325 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.509 ' CD1' HD23 ' A' ' 582' ' ' LEU . 49.3 mm -88.67 102.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 607' ' ' PHE . 1.6 mt -78.94 -76.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 606' ' ' GLU . 1.9 ptm180 -158.35 173.5 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.04 0.448 . . . . 0.0 111.76 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.6 p -130.44 159.9 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.042 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.06 150.97 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.404 0.621 . . . . 0.0 112.534 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.527 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.509 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.512 HD21 ' HA3' ' A' ' 542' ' ' GLY . 33.1 mt -83.72 155.1 23.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.868 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.471 ' O ' ' OG ' ' A' ' 576' ' ' SER . . . -75.54 166.39 23.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.508 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -108.27 120.8 43.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.544 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -90.88 -17.74 25.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.199 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -103.65 164.12 11.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.023 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.18 -3.63 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.193 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 -11.06 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.508 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 91.73 11.56 60.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.294 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.9 m-85 -125.19 -169.21 1.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 111.814 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 568' ' ' ALA . 17.2 m -153.99 177.75 10.7 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.23 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 578' ' ' PRO . 2.1 m-20 -127.94 55.29 15.83 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.527 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 38.9 Cg_endo -68.17 143.47 59.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.569 2.846 . . . . 0.0 115.406 -177.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 22.4 p90 -138.6 161.68 36.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 113.974 -1.466 . . . . 0.0 107.425 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 607' ' ' PHE . 48.8 t -111.76 132.72 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.764 -0.775 . . . . 0.0 112.785 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 9.5 mttm -117.14 131.61 56.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.562 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.509 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.12 143.98 47.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.034 0.445 . . . . 0.0 111.748 -178.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.568 ' CE3' ' HE3' ' A' ' 585' ' ' LYS . 4.3 t90 -151.65 114.63 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.176 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.592 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.7 tp -90.03 111.39 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.223 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.568 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.56 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.494 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.458 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 2.5 mttt -77.89 165.56 23.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 8.8 m-70 -160.3 172.08 17.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.12 0.486 . . . . 0.0 111.703 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.25 120.57 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.057 179.464 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.486 HG23 HG13 ' A' ' 561' ' ' ILE . 5.7 p -78.54 172.49 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.064 0.459 . . . . 0.0 111.263 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -51.17 151.9 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.573 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -83.73 129.38 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.397 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.527 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 3.3 mmpt? -98.88 74.85 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.08 0.467 . . . . 0.0 110.143 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.575 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 18.5 mmtm -51.65 140.63 18.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.285 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.502 ' HD2' ' CB ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 34.27 82.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.823 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 5.1 t 178.09 139.15 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 567' ' ' LEU . 10.9 mt -109.52 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.408 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -136.56 54.03 8.48 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.56 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 87.6 Cg_endo -79.16 -170.46 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.813 2.342 . . . . 0.0 113.145 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 563' ' ' ARG . 1.2 tt0 -134.0 122.37 22.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.348 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 580' ' ' VAL . 63.4 m-85 -88.84 -59.14 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.267 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.7 t-20 54.98 49.2 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.439 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.0 OUTLIER -109.13 136.62 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -109.1 111.92 23.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.71 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 35.9 m-85 -95.84 174.03 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.126 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.589 ' CE1' HD12 ' A' ' 558' ' ' ILE . 6.1 t80 -146.55 127.33 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.528 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.592 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 8.7 m-85 -107.81 156.55 19.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.38 60.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.576 ' CG1' HD22 ' A' ' 620' ' ' LEU . 1.0 OUTLIER -124.41 145.5 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.44 ' N ' HG13 ' A' ' 615' ' ' ILE . 5.1 mmtt -75.67 130.94 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.511 ' NE2' ' HD2' ' A' ' 665' ' ' LYS . 47.9 t-80 -43.57 -45.92 6.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -20.12 56.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.527 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 32.0 m-20 -99.57 -28.56 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.576 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.2 OUTLIER -34.52 -66.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.545 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -40.8 -48.04 2.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.641 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.61 63.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.098 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.533 ' CE ' HD12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -73.0 -176.48 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.4 p -159.83 104.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.048 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 21.3 tp -79.44 149.53 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.95 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -132.56 96.77 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.454 HG22 HG23 ' A' ' 546' ' ' VAL . 2.7 mp -92.19 98.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.493 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 28.6 m -113.76 129.94 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.638 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.511 ' CG2' HD23 ' A' ' 675' ' ' LEU . 14.6 t -98.88 120.86 48.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.289 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.586 ' CZ3' ' HB2' ' A' ' 640' ' ' TYR . 39.6 m95 -118.07 149.03 41.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.459 ' CB ' ' HG3' ' A' ' 570' ' ' MET . 0.4 OUTLIER -87.55 138.01 31.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.321 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 23.0 t80 -90.44 164.44 14.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.201 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -157.96 131.79 7.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.502 HD11 HG22 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -86.06 124.9 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.046 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.44 -9.35 67.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.31 -169.08 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 638' ' ' ASN . 15.6 p -97.8 144.02 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 637' ' ' SER . 0.2 OUTLIER -52.69 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 630' ' ' TRP . 1.7 m-20 -149.95 156.68 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.586 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.69 118.35 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 76.4 mt -97.49 -44.95 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 160.82 159.29 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.43 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.89 -163.05 19.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.787 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.16 166.21 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.307 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -112.92 134.67 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 673' ' ' HIS . 8.5 mt -117.81 98.7 6.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.314 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.51 144.51 14.53 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.534 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.632 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.0 OUTLIER -58.54 -13.77 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 120.87 0.367 . . . . 0.0 111.642 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.9 t -85.48 12.12 9.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.151 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.167 -179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.497 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 3.6 mtm180 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.584 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 30.4 tp -56.58 -45.14 81.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.935 0.397 . . . . 0.0 110.49 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 65.0 mttm -58.01 -42.67 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.721 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.519 ' NE2' ' O ' ' A' ' 669' ' ' ILE . 9.0 t-160 -72.06 -65.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.487 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.0 t-105 -48.59 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.63 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.4 OUTLIER -33.68 -53.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.376 179.493 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 656' ' ' LYS . 1.0 OUTLIER -38.09 -47.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.074 0.464 . . . . 0.0 110.444 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 22.8 t -45.84 -39.36 8.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 659' ' ' TYR . 2.1 mp -68.12 -28.41 67.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.641 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 660' ' ' GLU . 1.9 mtpt -86.9 -44.49 11.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.463 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -108.07 56.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.633 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.511 ' HD2' ' NE2' ' A' ' 617' ' ' HIS . 2.2 mppt? -42.77 -89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.94 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.549 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.6 mmtp -80.01 161.01 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -101.54 142.0 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.519 ' O ' ' NE2' ' A' ' 657' ' ' HIS . 1.2 mm -124.53 93.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.191 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 17.1 pm0 -108.71 141.9 40.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.127 0.489 . . . . 0.0 111.563 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.575 ' HD2' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -166.18 162.23 17.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.675 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.522 ' NE1' HD12 ' A' ' 545' ' ' LEU . 95.5 m95 -90.91 130.56 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.002 0.43 . . . . 0.0 111.657 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.575 ' CE1' ' HD2' ' A' ' 671' ' ' ARG . 52.9 m-70 -111.68 131.42 55.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.651 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.518 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -77.59 113.17 15.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.587 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.511 HD23 ' CG2' ' A' ' 629' ' ' VAL . 82.1 mt -53.65 129.26 32.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.508 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 643' ' ' GLY . 0.9 OUTLIER -123.04 163.32 20.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.539 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.055 -179.874 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.688 -0.165 . . . . 0.0 112.688 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 131.0 53.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.51 ' CD1' HG21 ' A' ' 546' ' ' VAL . 0.0 OUTLIER -109.39 129.33 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 111.454 -179.708 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.536 HD12 ' NE1' ' A' ' 672' ' ' TRP . 16.7 tp -79.92 115.29 19.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.612 ' HB ' ' CE1' ' A' ' 673' ' ' HIS . 37.5 t -117.88 135.3 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.0 OUTLIER -111.04 142.45 43.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.7 mt -120.12 156.67 30.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.429 . . . . 0.0 111.213 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 558' ' ' ILE . 4.8 tmm? 177.6 127.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.133 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.2 t80 -106.56 132.72 52.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.044 0.45 . . . . 0.0 111.302 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 79.8 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.827 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.45 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.3 p -45.76 -41.2 10.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 110.188 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.39 -45.9 55.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.224 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -85.75 -19.22 31.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.713 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.18 38.97 33.16 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.497 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.96 167.66 32.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.571 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.505 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.6 tp -94.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.1 mm -125.35 120.0 56.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.2 t -106.87 120.48 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -106.59 108.51 2.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.601 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.519 HG13 ' CG2' ' A' ' 596' ' ' THR . 28.2 mm -86.88 96.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.533 ' CD1' ' HG ' ' A' ' 545' ' ' LEU . 2.1 mt -75.72 -77.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -157.73 170.18 22.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 111.773 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.493 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 1.0 OUTLIER -126.17 160.47 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.333 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.516 HG12 ' CH2' ' A' ' 672' ' ' TRP . 33.0 m -142.98 146.13 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 112.173 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.517 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 54.12 58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.386 179.441 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' A' ' 578' ' ' PRO . 19.2 mt -90.5 152.21 21.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.38 45.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.495 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -107.43 118.26 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.479 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 10.1 mmt -87.9 -21.81 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.04 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -10.81 58.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.785 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.64 8.36 59.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -120.37 -168.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.557 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 0.5 OUTLIER -160.79 170.28 21.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.067 0.461 . . . . 0.0 111.583 -179.566 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.529 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 5.2 m-20 -117.07 59.73 2.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.521 ' CB ' HD11 ' A' ' 567' ' ' LEU . 36.5 Cg_endo -67.28 145.5 72.32 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 123.359 2.706 . . . . 0.0 115.28 -177.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.4 p90 -141.83 161.37 38.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.965 -1.47 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 607' ' ' PHE . 24.3 t -113.42 132.71 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.39 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.475 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.8 OUTLIER -115.34 134.6 54.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.711 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.516 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.2 OUTLIER -122.62 137.99 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.939 0.4 . . . . 0.0 111.559 -179.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.565 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.0 t90 -145.96 117.69 8.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.966 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 15.4 tp -94.72 113.45 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.717 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.942 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.564 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.565 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.4 mmtp -61.83 150.02 38.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.503 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 4.7 m-70 -147.6 172.73 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.394 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.1 OUTLIER -159.67 132.87 6.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.246 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.519 ' CG2' HG13 ' A' ' 561' ' ' ILE . 33.9 p -89.72 167.37 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.98 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -51.81 139.19 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.59 HG23 ' CG ' ' A' ' 632' ' ' TYR . 2.9 mm -77.96 119.97 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.608 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.541 ' HG2' ' CB ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -99.66 83.9 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.466 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 1.3 mmtm -63.64 152.34 39.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.098 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm 44.65 66.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.886 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.54 ' CG2' ' HB3' ' A' ' 605' ' ' PRO . 3.3 t -178.16 144.13 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 111.131 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 576' ' ' SER . 10.4 mt -118.65 -11.53 9.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 1.1 m-80 -129.99 47.25 2.71 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.456 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 72.6 Cg_endo -76.23 -175.78 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.961 2.441 . . . . 0.0 113.002 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.463 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.6 tt0 -132.41 116.95 17.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 580' ' ' VAL . 64.3 m-85 -82.59 -56.84 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 52.15 47.45 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 -179.486 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 561' ' ' ILE . 0.8 OUTLIER -108.91 130.09 55.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.352 -179.401 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.51 108.41 19.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.513 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 19.3 m-85 -90.32 174.06 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.935 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.9 t80 -146.87 128.15 14.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 8.9 m-85 -107.65 153.9 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.002 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -108.54 62.5 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.111 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.563 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.9 OUTLIER -128.32 145.56 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.653 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 615' ' ' ILE . 2.6 mptt -76.9 131.64 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 51.8 t-80 -41.67 -51.23 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -17.27 3.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.37 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.529 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 84.0 m-20 -105.16 -29.13 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.563 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.66 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 179.566 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.556 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -33.83 -53.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.103 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -65.01 -26.35 68.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.77 0.319 . . . . 0.0 111.464 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 620' ' ' LEU . 0.0 OUTLIER -56.7 -176.03 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.1 0.476 . . . . 0.0 111.145 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 29.5 p -159.19 103.69 1.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.289 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 29.0 tp -79.69 147.81 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.918 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 12.6 t0 -130.78 93.24 3.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.437 HG21 ' CG1' ' A' ' 580' ' ' VAL . 2.2 mp -88.66 102.72 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.474 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 50.4 p -117.85 131.22 56.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.057 0.456 . . . . 0.0 111.777 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 579' ' ' PHE . 10.9 t -102.13 122.17 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.238 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.66 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 42.8 m95 -121.64 150.55 41.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 111.417 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.479 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -83.85 128.15 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.852 179.225 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.59 ' CG ' HG23 ' A' ' 598' ' ' ILE . 30.4 t80 -90.73 159.72 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.298 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.544 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.3 OUTLIER -160.22 127.85 4.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.416 HD13 ' HE2' ' A' ' 600' ' ' LYS . 0.0 OUTLIER -79.64 136.29 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 84.02 -17.41 27.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.95 -173.21 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 60.7 p -79.84 -162.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.89 172.54 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.463 ' HB2' ' HB3' ' A' ' 631' ' ' ASP . 0.9 OUTLIER -130.96 154.39 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.712 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.66 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -94.46 114.45 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 26.8 mt -92.36 -38.15 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.468 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 151.29 160.85 9.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 676' ' ' GLN . . . -163.94 -161.5 13.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.682 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.76 159.59 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.827 0.346 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -107.8 134.89 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.724 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.506 HD13 ' NE2' ' A' ' 673' ' ' HIS . 8.9 mt -123.51 104.54 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -146.12 146.23 16.08 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.633 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.4 tt -62.9 -10.32 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.003 0.43 . . . . 0.0 111.238 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -88.3 13.55 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.248 -179.7 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.502 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 4.1 mtm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.713 0.292 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.588 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 15.7 tp -55.0 -38.0 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 110.647 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.1 OUTLIER -59.51 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.566 ' CD2' HG23 ' A' ' 669' ' ' ILE . 21.1 t-160 -66.82 -52.38 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.939 0.4 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 60.6 t-105 -61.94 -61.97 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.885 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.583 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -59.6 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.264 -178.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.5 pt-20 -42.78 -33.34 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 1.6 t -62.87 -41.58 99.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.2 OUTLIER -54.64 -37.79 66.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 1.2 pttt -72.0 -41.05 68.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.476 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 33.8 m-20 -103.68 87.88 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.377 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.1 OUTLIER -79.14 -70.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.7 -17.76 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.4 mtmm -94.57 135.92 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -79.9 153.37 29.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.162 0.506 . . . . 0.0 111.473 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 657' ' ' HIS . 1.1 mt -135.78 143.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.271 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 3.3 pm0 -150.5 148.55 28.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 111.555 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -173.88 149.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.536 ' NE1' HD12 ' A' ' 545' ' ' LEU . 91.4 m95 -79.18 129.13 34.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.287 0.565 . . . . 0.0 111.659 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.612 ' CE1' ' HB ' ' A' ' 546' ' ' VAL . 0.1 OUTLIER -105.75 129.57 53.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.312 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.41 114.03 15.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.468 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 94.7 mt -58.85 128.84 39.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.467 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.1 mm-40 -117.22 174.19 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.427 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.658 -0.177 . . . . 0.0 112.658 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -126.08 138.8 53.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -118.23 127.46 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.227 0.537 . . . . 0.0 111.991 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.534 ' HG ' ' CD1' ' A' ' 562' ' ' ILE . 18.7 tp -79.71 113.68 18.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.339 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.451 HG21 HD11 ' A' ' 544' ' ' ILE . 78.7 t -112.12 135.53 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.255 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 560' ' ' GLY . 0.1 OUTLIER -110.17 139.61 45.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 625' ' ' LEU . 16.6 mt -122.49 148.56 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.267 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 5.0 tmm? -173.91 118.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.4 t80 -97.08 131.04 44.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.7 78.63 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.931 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.3 p -46.31 -41.86 13.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -45.88 52.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.32 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -86.2 -16.87 36.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.35 39.3 36.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.42 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.3 169.3 33.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.634 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.9 tp -94.6 157.44 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.68 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.4 mm -127.57 117.59 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.67 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.514 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.0 t -104.13 116.81 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 547' ' ' SER . . . -105.88 105.82 2.5 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.403 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.549 HG23 ' CG ' ' A' ' 607' ' ' PHE . 8.3 mm -85.24 106.19 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.534 ' CD1' ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -80.97 -77.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.477 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -156.64 171.24 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 111.71 -179.195 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 7.4 p -130.23 158.36 39.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.23 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.95 154.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.287 0.565 . . . . 0.0 112.387 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.69 41.01 12.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.358 179.346 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.547 HD11 ' CB ' ' A' ' 578' ' ' PRO . 13.6 mt -80.85 155.59 26.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -82.84 165.51 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.361 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.508 ' HB2' ' N ' ' A' ' 575' ' ' TYR . . . -128.42 109.8 11.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.526 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 3.0 mtm -85.64 -25.75 26.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.394 . . . . 0.0 110.811 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.13 151.75 47.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.626 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.49 -5.54 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -84.0 -10.92 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.819 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.59 4.18 64.07 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.353 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.9 m-85 -124.72 -169.63 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 111.992 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.459 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.6 OUTLIER -152.45 178.32 9.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.179 -179.686 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.475 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 11.4 m-20 -124.96 58.46 18.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.547 ' CB ' HD11 ' A' ' 567' ' ' LEU . 34.3 Cg_endo -66.53 144.26 72.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 123.399 2.732 . . . . 0.0 115.289 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.582 ' CE2' ' HD2' ' A' ' 581' ' ' LYS . 17.0 p90 -144.35 160.27 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 113.979 -1.464 . . . . 0.0 107.727 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.536 ' CG2' ' CE2' ' A' ' 607' ' ' PHE . 21.2 t -110.22 128.9 66.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.194 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.582 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.14 130.85 56.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.951 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.519 ' CD2' HD13 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.91 133.7 55.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 -179.041 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.552 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.6 t90 -140.68 115.81 9.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.008 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.2 tp -87.33 105.35 17.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.634 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.963 -179.77 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.838 0.351 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.53 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 17.3 mttt -77.56 163.18 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.592 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 10.7 m-70 -160.07 173.39 15.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.97 0.414 . . . . 0.0 111.715 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 0.0 OUTLIER -158.36 114.7 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.77 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 580' ' ' VAL . 5.2 p -73.87 176.11 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.384 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -50.05 138.99 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.349 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.579 HG22 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.8 119.73 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.528 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 11.7 mmpt? -90.78 72.94 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.573 ' HE2' ' CE1' ' A' ' 632' ' ' TYR . 2.5 mmtp -64.23 142.97 58.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.609 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 49.33 65.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.698 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.549 ' CG2' ' HB3' ' A' ' 605' ' ' PRO . 4.3 t -179.96 147.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.834 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.458 ' CA ' ' HB2' ' A' ' 567' ' ' LEU . 15.9 mt -119.07 -12.81 9.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.501 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 12.3 m-80 -130.89 49.73 5.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.549 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 96.9 Cg_endo -78.53 -173.32 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.071 2.514 . . . . 0.0 113.471 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.8 tt0 -132.76 124.97 29.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.346 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.549 ' CG ' HG23 ' A' ' 561' ' ' ILE . 64.7 m-85 -89.41 -58.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 51.35 48.87 22.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.044 0.449 . . . . 0.0 110.21 -179.45 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.463 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.2 mm-40 -108.84 138.2 45.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.052 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 610' ' ' GLU . 16.6 pt-20 -110.35 110.34 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 40.0 m-85 -93.09 171.0 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.266 0.555 . . . . 0.0 112.316 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 558' ' ' ILE . 3.6 t80 -143.73 121.93 12.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.413 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 9.6 m-85 -104.7 153.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.728 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 62.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.004 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.547 HG12 ' HG3' ' A' ' 623' ' ' LYS . 0.8 OUTLIER -127.88 137.7 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 619' ' ' ASP . 0.1 OUTLIER -71.09 130.27 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.492 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.9 t-80 -42.43 -45.18 4.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -24.1 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.531 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 59.1 m-20 -104.15 -27.63 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.545 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -37.05 -66.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.303 179.641 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.552 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -36.56 -51.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.692 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -24.47 66.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.443 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.547 ' HG3' HG12 ' A' ' 615' ' ' ILE . 9.1 mmpt? -62.18 170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.2 p -142.06 103.24 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.344 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.49 ' CD2' HD23 ' A' ' 548' ' ' LEU . 50.6 tp -79.8 116.63 20.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.952 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -106.39 97.81 7.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.472 HG21 ' CG1' ' A' ' 580' ' ' VAL . 3.4 mp -91.32 100.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.479 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 2.2 m -113.36 135.65 53.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.554 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.519 ' CG2' HD23 ' A' ' 675' ' ' LEU . 15.9 t -102.42 124.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.095 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.625 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 54.4 m95 -122.3 146.96 46.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.646 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.526 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.0 OUTLIER -86.12 120.35 27.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.395 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 26.9 t80 -76.09 161.24 29.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.079 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.584 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.12 128.84 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.69 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.3 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -15.79 58.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.423 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.92 -162.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.52 173.66 10.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.16 -171.6 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.1 m-20 -137.35 156.29 48.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.625 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.08 116.28 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 15.7 mt -95.55 -37.73 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.479 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 149.49 161.0 9.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.418 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.71 -169.77 26.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.787 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 166.3 32.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.817 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.459 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.9 mt-30 -112.48 143.76 43.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.501 HD13 ' NE2' ' A' ' 673' ' ' HIS . 16.7 mt -134.71 88.86 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.05 142.57 13.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.702 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.587 HD12 ' CE2' ' A' ' 659' ' ' TYR . 1.6 tt -59.4 -14.06 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 117.041 0.421 . . . . 0.0 111.383 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.0 t -80.22 1.85 26.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.161 -179.88 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.862 0.363 . . . . 0.0 110.789 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.578 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 12.6 tp -69.96 -48.79 56.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.6 mtmt -45.61 -70.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.139 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.519 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 16.2 t-160 -52.67 -50.61 62.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 63.8 t-105 -61.6 -75.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.587 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -49.15 -61.77 1.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.813 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.3 pt-20 -41.82 -32.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.193 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 23.6 t -62.41 -44.76 95.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.2 OUTLIER -52.44 -28.51 20.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 12.1 pttt -83.87 -46.57 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.877 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.512 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 4.2 m-20 -95.47 38.38 1.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.495 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 549' ' ' MET . 1.0 OUTLIER -39.35 -71.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.057 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 667' ' ' LYS . 3.0 p-10 -48.72 -23.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.3 mtpt -94.86 137.39 33.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.519 ' HG2' ' N ' ' A' ' 669' ' ' ILE . 0.9 OUTLIER -82.65 144.56 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.409 -179.556 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.532 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -123.34 157.27 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.476 ' O ' ' NE ' ' A' ' 671' ' ' ARG . 1.0 OUTLIER -154.68 135.85 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.476 ' NE ' ' O ' ' A' ' 670' ' ' GLU . 2.6 mmt180 -154.33 166.16 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.342 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.531 ' NE1' HD12 ' A' ' 545' ' ' LEU . 83.8 m95 -103.22 131.6 50.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.692 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.501 ' NE2' HD13 ' A' ' 646' ' ' LEU . 75.3 m-70 -117.93 130.07 56.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.086 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 34.1 mt-30 -77.25 108.84 10.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.185 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.519 HD23 ' CG2' ' A' ' 629' ' ' VAL . 88.2 mt -49.67 128.78 18.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.375 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 48.1 mt-30 -125.19 159.64 31.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 120.859 0.144 . . . . 0.0 112.97 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -127.95 137.83 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -114.37 128.29 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.438 . . . . 0.0 111.651 -179.568 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.583 HD11 ' CG ' ' A' ' 672' ' ' TRP . 17.4 tp -79.51 123.32 27.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.561 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.31 134.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.251 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.533 ' CB ' ' HG3' ' A' ' 670' ' ' GLU . 54.6 p -116.91 111.86 20.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.463 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 55.1 mt -95.41 162.31 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 111.519 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.516 ' SD ' ' CB ' ' A' ' 668' ' ' LYS . 30.3 ttp 175.94 125.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.229 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 59.5 t80 -103.17 130.62 50.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.458 . . . . 0.0 111.322 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.82 76.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.834 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.466 HG21 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -43.01 -38.3 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.4 tp60 -53.78 -54.9 31.68 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.504 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 19.5 mt-30 -75.62 -15.23 60.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.548 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.83 41.45 62.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.65 168.3 33.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.569 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.2 tp -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.584 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.3 mm -125.99 119.38 54.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.532 HG12 ' CD2' ' A' ' 625' ' ' LEU . 2.3 t -105.81 118.17 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.465 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -106.7 110.55 3.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.386 -0.911 . . . . 0.0 113.607 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.526 ' CG2' HG23 ' A' ' 596' ' ' THR . 26.6 mm -90.36 99.16 9.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 607' ' ' PHE . 1.6 mp -79.39 -73.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.3 OUTLIER -159.82 170.84 20.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.256 0.55 . . . . 0.0 112.055 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.49 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 0.8 OUTLIER -127.55 161.84 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.646 178.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.409 HG12 ' CH2' ' A' ' 672' ' ' TRP . 35.2 m -143.59 144.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 112.224 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 60.2 t60 55.29 54.71 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.352 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.526 HD11 ' CB ' ' A' ' 578' ' ' PRO . 22.6 mt -84.05 161.83 20.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.056 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 576' ' ' SER . . . -69.81 149.71 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.492 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.28 116.25 30.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.341 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 6.4 mmt -79.74 -28.69 40.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -84.24 164.95 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.317 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.26 -5.88 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.041 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.1 -12.29 58.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.43 16.15 44.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.671 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.2 m-85 -124.16 -172.07 2.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.469 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 1.2 m -161.97 179.57 7.91 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.541 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.536 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 5.5 m-20 -123.5 58.75 14.2 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.451 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.526 ' CB ' HD11 ' A' ' 567' ' ' LEU . 42.7 Cg_endo -69.63 152.05 69.9 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 123.377 2.718 . . . . 0.0 115.499 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 10.6 p90 -149.17 161.84 41.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.456 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.54 HG22 ' CE2' ' A' ' 607' ' ' PHE . 23.6 t -116.35 132.3 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.905 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.591 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.8 mttp -114.62 131.12 56.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.762 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.518 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.07 143.94 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.929 0.395 . . . . 0.0 111.549 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.573 ' CD2' ' HE3' ' A' ' 593' ' ' LYS . 5.3 t90 -151.33 118.42 5.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.102 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.6 tp -90.54 107.73 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.763 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.776 0.322 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.573 ' HE3' ' CD2' ' A' ' 583' ' ' TRP . 14.6 mmtm -80.0 155.91 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.799 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.599 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 10.5 m-70 -158.25 166.2 32.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.118 0.485 . . . . 0.0 111.667 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.39 117.0 2.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.267 179.448 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.526 HG23 ' CG2' ' A' ' 561' ' ' ILE . 15.1 p -70.18 159.2 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.09 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.52 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 17.3 pt20 -48.02 139.17 8.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.591 HG22 ' CG ' ' A' ' 632' ' ' TYR . 2.2 mm -74.32 124.9 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.551 ' HG2' ' CB ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -104.49 83.85 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.195 0.522 . . . . 0.0 109.896 178.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.578 ' HE2' ' CD1' ' A' ' 632' ' ' TYR . 21.7 mmtp -55.91 155.03 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.058 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 602' ' ' THR . 6.8 mmmt 32.93 76.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.167 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.601 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 3.7 t 179.36 139.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.069 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 574' ' ' GLY . 7.5 mt -113.6 -11.25 13.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -131.94 49.72 4.96 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.556 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 81.7 Cg_endo -78.3 170.88 17.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.911 2.407 . . . . 0.0 113.104 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 2.9 tt0 -121.34 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.473 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.54 ' CE2' HG22 ' A' ' 580' ' ' VAL . 66.8 m-85 -79.63 -52.39 8.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.391 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.2 t-20 50.28 49.14 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 109.961 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 124.76 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.309 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -98.89 108.52 21.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.599 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 30.8 m-85 -91.27 171.67 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.6 t80 -144.73 123.19 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 8.1 m-85 -103.95 152.29 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.725 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.45 57.91 0.65 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.577 ' CG1' HD22 ' A' ' 620' ' ' LEU . 1.0 OUTLIER -123.78 145.33 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.725 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.476 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.8 OUTLIER -79.79 137.35 36.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.58 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 55.5 t-80 -44.64 -51.24 9.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -17.9 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.239 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.53 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 9.1 m-20 -105.58 -29.14 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.721 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.577 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.2 -65.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.637 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.554 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -38.67 -53.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.873 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -63.23 -14.2 46.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 111.182 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.531 ' HB3' ' CG ' ' A' ' 584' ' ' LEU . 1.3 mmpt? -75.58 179.89 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.276 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.31 104.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.346 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.532 ' CD2' HG12 ' A' ' 559' ' ' VAL . 54.8 tp -79.42 114.37 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -97.47 97.35 9.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 3.6 mp -90.27 106.85 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.73 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 640' ' ' TYR . 88.3 p -117.92 135.95 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.503 ' CG2' HD23 ' A' ' 675' ' ' LEU . 21.3 t -108.2 129.4 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.591 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 28.2 m95 -121.55 147.46 45.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.542 ' OD2' ' CB ' ' A' ' 639' ' ' ASP . 0.7 OUTLIER -90.59 120.84 32.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 0.0 109.904 178.809 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 41.8 t80 -73.88 165.02 25.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.185 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.7 m-20 -159.93 119.12 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.63 131.01 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.46 -3.12 55.53 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 -167.63 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.829 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 37.6 m -97.36 155.35 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -80.43 -170.69 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.542 ' CB ' ' OD2' ' A' ' 631' ' ' ASP . 0.2 OUTLIER -160.12 158.54 30.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 628' ' ' SER . 1.1 t80 -89.76 112.53 23.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.54 ' CG1' ' HB3' ' A' ' 631' ' ' ASP . 60.3 mt -83.35 -56.98 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.479 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 179.85 156.66 18.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.812 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -168.75 -150.37 6.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.431 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 178.48 172.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.411 ' O ' ' HD3' ' A' ' 654' ' ' ARG . 32.6 mt-30 -109.26 137.32 47.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 654' ' ' ARG . 9.3 mt -124.77 89.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.53 148.7 20.24 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.592 HD12 ' CE2' ' A' ' 659' ' ' TYR . 0.9 OUTLIER -60.86 -11.74 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 111.591 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -88.21 14.26 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.159 0.504 . . . . 0.0 109.785 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.189 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.427 -179.582 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 1.6 mtt85 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.586 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 25.0 tp -62.82 -33.33 74.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.7 mtpp -64.75 -59.3 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.587 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 6.8 t-160 -57.45 -53.28 59.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.193 0.52 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.9 t-105 -60.02 -79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -39.71 -61.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.949 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.539 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.4 pt-20 -42.92 -33.78 0.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.097 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.503 ' HA ' ' CD1' ' A' ' 669' ' ' ILE . 31.3 t -58.98 -41.31 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.545 ' O ' ' CD ' ' A' ' 665' ' ' LYS . 0.5 OUTLIER -59.77 -24.43 64.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.888 178.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -39.2 16.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.901 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.507 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.2 m-20 -106.69 58.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.642 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.545 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.7 OUTLIER -49.98 -82.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.507 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 6.4 mttm -82.88 125.41 31.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.63 118.58 21.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.575 HG23 ' CD2' ' A' ' 657' ' ' HIS . 0.7 OUTLIER -92.03 158.68 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.802 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.533 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 4.0 mt-10 -156.07 134.47 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.587 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -165.73 158.34 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.583 ' CG ' HD11 ' A' ' 545' ' ' LEU . 84.2 m95 -97.03 132.28 43.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.515 ' ND1' ' HD2' ' A' ' 671' ' ' ARG . 88.1 m-70 -110.73 129.59 55.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.762 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.59 104.85 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.375 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.503 HD23 ' CG2' ' A' ' 629' ' ' VAL . 92.8 mt -53.98 128.71 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.223 0.535 . . . . 0.0 111.443 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -120.23 159.48 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.649 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.655 -0.178 . . . . 0.0 112.655 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -132.75 135.86 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.467 HG13 HG23 ' A' ' 580' ' ' VAL . 0.1 OUTLIER -112.76 129.44 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -179.638 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.537 HD12 ' NE1' ' A' ' 672' ' ' TRP . 20.5 tp -79.56 114.98 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.215 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.465 HG23 HG22 ' A' ' 627' ' ' ILE . 77.4 t -114.76 130.33 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.5 OUTLIER -112.23 136.71 51.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.304 179.317 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.6 mt -118.97 163.13 17.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.503 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.8 tmm? 174.26 125.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.489 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 48.5 t80 -105.24 133.9 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 0.0 110.892 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.12 85.34 2.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.472 HG23 ' HD2' ' A' ' 665' ' ' LYS . 1.2 p -49.73 -39.89 38.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.025 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -49.3 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.978 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.02 -17.17 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.426 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.86 41.0 56.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -158.47 163.42 32.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.696 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.501 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.1 tp -88.89 157.94 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.649 0.261 . . . . 0.0 110.731 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.557 HD12 ' CE1' ' A' ' 612' ' ' PHE . 0.8 OUTLIER -127.97 120.38 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.029 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 1.6 t -108.35 122.55 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.67 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -112.18 114.02 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.387 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.527 ' CD1' ' CD2' ' A' ' 582' ' ' LEU . 35.7 mm -93.45 98.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.53 ' CD1' ' HG ' ' A' ' 545' ' ' LEU . 2.8 mp -73.94 -73.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 3.2 ptm180 -164.04 171.63 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.184 0.516 . . . . 0.0 112.013 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.524 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 0.8 OUTLIER -124.18 161.5 25.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.948 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.566 HG12 ' CH2' ' A' ' 672' ' ' TRP . 34.4 m -142.7 145.71 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.139 0.495 . . . . 0.0 112.198 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.525 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.1 t-80 49.58 57.67 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.056 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.524 HD11 ' CB ' ' A' ' 578' ' ' PRO . 15.3 mt -84.01 162.55 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -74.32 145.59 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.501 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -107.31 113.13 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.491 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 16.5 mmt -83.19 -25.74 31.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.794 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -84.29 154.58 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.75 27.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -80.81 -6.34 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 87.21 9.56 72.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.0 m-85 -123.29 -168.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.823 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.435 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.4 OUTLIER -160.02 178.59 9.55 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.067 0.461 . . . . 0.0 111.473 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.525 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.0 m-20 -121.25 58.37 7.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.524 ' CB ' HD11 ' A' ' 567' ' ' LEU . 32.7 Cg_endo -66.24 143.98 72.94 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.403 2.735 . . . . 0.0 115.504 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 29.3 p90 -146.08 162.03 38.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 113.791 -1.549 . . . . 0.0 107.464 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.578 HG22 ' CE2' ' A' ' 607' ' ' PHE . 25.0 t -116.5 129.96 72.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.723 -178.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.7 OUTLIER -112.74 130.95 55.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.417 178.798 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.527 ' CD2' ' CD1' ' A' ' 561' ' ' ILE . 0.0 OUTLIER -118.99 138.62 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.633 -178.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.579 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.9 t90 -147.09 118.02 7.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 15.5 tp -92.84 108.95 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.435 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 13.8 mtmt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.775 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.579 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 34.1 mttt -81.5 157.8 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.794 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' A' ' 593' ' ' LYS . 16.8 m-70 -157.14 176.62 12.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.109 0.48 . . . . 0.0 111.457 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 125.21 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.101 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.462 HG22 ' HB ' ' A' ' 580' ' ' VAL . 4.0 p -81.42 160.19 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 111.012 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.98 149.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.551 HG22 ' CB ' ' A' ' 632' ' ' TYR . 1.2 mm -87.64 128.01 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.516 ' HG2' ' CB ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -104.97 63.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 109.893 179.354 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.525 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.0 OUTLIER -50.45 137.81 18.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.108 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.48 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 66.15 62.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.406 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 4.3 t 176.93 145.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 11.1 mt -115.81 -14.61 11.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.753 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -123.02 43.86 0.83 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 55.4 Cg_endo -71.74 173.44 12.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.967 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 74.8 tt0 -121.47 119.54 32.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.379 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.578 ' CE2' HG22 ' A' ' 580' ' ' VAL . 46.7 m-85 -88.6 -58.57 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.407 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.4 OUTLIER 50.22 47.94 22.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 110.103 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.444 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.6 mm-40 -106.15 130.74 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.265 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -105.64 112.02 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 41.0 m-85 -95.85 174.84 6.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.164 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.557 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.7 t80 -147.41 125.35 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.163 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.6 m-85 -105.0 157.14 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.816 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.09 64.83 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.573 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.9 OUTLIER -132.23 140.35 47.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.738 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 619' ' ' ASP . 23.7 mmtt -74.63 131.72 41.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.538 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.521 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 42.2 t-80 -42.52 -43.9 3.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.9 -24.79 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.527 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 74.3 m-20 -101.81 -29.19 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.573 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -34.85 -66.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.573 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.553 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -36.15 -57.1 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.792 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -20.44 62.84 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.84 0.352 . . . . 0.0 111.286 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 620' ' ' LEU . 0.4 OUTLIER -65.49 172.06 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.765 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.86 104.67 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.189 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.447 HD23 HG12 ' A' ' 559' ' ' VAL . 23.1 tp -79.02 144.08 35.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 1.8 t70 -129.71 97.37 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.497 HG21 ' CG1' ' A' ' 580' ' ' VAL . 2.0 mp -92.27 97.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.376 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.47 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 90.7 p -110.3 130.68 55.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.642 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.505 ' CG2' HD23 ' A' ' 675' ' ' LEU . 6.8 t -101.67 125.25 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.125 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.637 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 52.2 m95 -122.73 146.78 47.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.549 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.491 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -84.72 113.06 21.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.113 0.483 . . . . 0.0 110.147 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 38.1 t80 -69.44 164.28 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.496 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.22 125.93 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.485 ' N ' HD11 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -89.01 133.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.58 -17.97 32.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.376 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -132.26 -165.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.2 OUTLIER -87.14 175.87 7.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -99.06 -176.92 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.783 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.464 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 21.1 m-20 -138.35 154.47 48.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.637 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.45 107.56 19.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.406 HD11 ' HB3' ' A' ' 578' ' ' PRO . 71.4 mt -83.18 -38.16 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 147.84 161.47 9.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.535 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.4 -171.35 27.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.585 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . 0.534 ' SG ' ' CG ' ' A' ' 673' ' ' HIS . 16.4 p -153.31 154.36 34.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.471 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.2 mt-30 -105.85 136.35 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.43 HD23 ' CE1' ' A' ' 673' ' ' HIS . 12.2 mt -125.35 93.71 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.999 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.55 150.12 20.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.841 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.607 ' HA ' ' CD1' ' A' ' 655' ' ' LEU . 1.3 tt -65.56 -9.47 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 121.009 0.433 . . . . 0.0 111.342 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.1 t -91.94 15.07 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.14 0.495 . . . . 0.0 109.814 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.361 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.3 mtt-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.966 0.413 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.607 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 24.4 tp -86.33 -45.83 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 3.2 pttp -57.08 -57.36 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.585 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 19.0 t-160 -57.58 -55.03 40.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 44.6 t-105 -61.47 -64.71 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.158 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.593 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -53.58 -62.35 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.788 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.494 ' HA ' ' HG3' ' A' ' 663' ' ' LYS . 0.0 OUTLIER -42.96 -29.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.063 -179.274 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 12.4 t -62.18 -45.22 94.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.3 OUTLIER -55.61 -30.23 60.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.811 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.494 ' HG3' ' HA ' ' A' ' 660' ' ' GLU . 7.1 mtpt -79.94 -46.97 15.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.367 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.461 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 1.2 m-20 -99.05 42.69 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.666 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.521 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -42.32 -69.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -21.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.127 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.8 mmtm -94.53 138.1 32.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.482 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -86.22 132.0 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.474 -179.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 548' ' ' LEU . 0.4 OUTLIER -113.21 149.7 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.352 179.447 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 670' ' ' GLU . 0.8 OUTLIER -152.18 148.83 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.233 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.51 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.68 166.32 8.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.878 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.566 ' CH2' HG12 ' A' ' 565' ' ' VAL . 92.3 m95 -98.98 131.12 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.534 ' CG ' ' SG ' ' A' ' 644' ' ' CYS . 79.2 m-70 -110.02 131.38 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.67 103.05 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.505 HD23 ' CG2' ' A' ' 629' ' ' VAL . 86.3 mt -48.08 130.64 15.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.36 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -124.63 166.27 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.788 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -126.4 140.81 52.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.0 110.399 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -120.56 128.67 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.98 0.419 . . . . 0.0 111.79 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.538 HD11 ' CG ' ' A' ' 672' ' ' TRP . 18.9 tp -79.87 124.18 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.328 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 56.0 t -126.58 137.64 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.57 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' A' ' 670' ' ' GLU . 27.3 p -119.07 121.92 40.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.14 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 658' ' ' TRP . 13.2 mt -101.84 163.36 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 111.625 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.514 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.5 ttp 175.39 128.62 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.614 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.526 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 58.4 t80 -108.17 131.51 54.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.25 82.81 2.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.441 HG23 ' HD3' ' A' ' 665' ' ' LYS . 1.2 p -47.3 -36.63 9.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . 0.517 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.3 tp60 -54.55 -57.05 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.375 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . 0.517 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 4.4 mm-40 -73.09 -15.82 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.423 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.5 41.88 65.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.526 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.91 171.15 33.79 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.572 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.524 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 10.1 tp -96.14 160.78 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.1 mm -130.03 121.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.533 ' CG1' HD21 ' A' ' 582' ' ' LEU . 3.0 t -111.24 122.06 65.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.814 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -112.16 123.29 6.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.43 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.522 ' CD1' HD23 ' A' ' 582' ' ' LEU . 10.0 mm -103.52 96.46 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.524 ' CB ' HD21 ' A' ' 545' ' ' LEU . 3.0 mp -72.04 -75.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.349 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 2.7 ptm180 -155.85 175.65 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.905 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.532 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 1.3 p -131.36 160.54 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.507 HG12 ' CH2' ' A' ' 672' ' ' TRP . 35.7 m -143.51 145.74 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 112.316 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.511 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 55.06 59.41 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.282 179.46 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.54 HD11 ' CB ' ' A' ' 578' ' ' PRO . 19.0 mt -90.61 146.79 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.58 149.92 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -103.88 116.53 32.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.476 ' HG3' ' HB2' ' A' ' 639' ' ' ASP . 10.0 mmt -82.66 -23.95 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -88.75 158.6 18.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.11 -1.04 18.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -84.05 -12.64 54.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.705 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 96.82 3.2 59.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.24 -169.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 111.885 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.471 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 1.0 OUTLIER -157.46 179.55 9.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.419 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 599' ' ' LYS . 0.7 OUTLIER -126.74 57.67 23.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.194 179.196 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.54 ' CB ' HD11 ' A' ' 567' ' ' LEU . 37.1 Cg_endo -66.72 149.26 83.72 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.467 2.778 . . . . 0.0 115.242 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.1 p90 -146.15 160.14 42.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.04 -1.436 . . . . 0.0 107.837 177.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.543 HG22 ' CE2' ' A' ' 607' ' ' PHE . 17.4 t -111.56 134.77 52.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.035 -0.666 . . . . 0.0 112.63 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 594' ' ' HIS . 6.2 mttm -117.41 141.3 48.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.751 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.579 HD12 ' CD1' ' A' ' 611' ' ' PHE . 0.1 OUTLIER -125.9 132.54 52.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.385 -178.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.574 ' CD1' ' CD ' ' A' ' 585' ' ' LYS . 2.6 t90 -132.4 126.72 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.261 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.587 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 12.2 tp -113.28 114.04 26.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.095 0.474 . . . . 0.0 110.807 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.574 ' CD ' ' CD1' ' A' ' 583' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.976 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 582' ' ' LEU . 0.0 OUTLIER -83.57 154.14 23.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.501 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 581' ' ' LYS . 15.2 m-70 -146.82 179.54 7.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.258 0.551 . . . . 0.0 112.047 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 120.81 2.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.916 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.535 HG21 ' CE1' ' A' ' 611' ' ' PHE . 1.7 p -80.8 174.71 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.212 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . 0.464 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 24.1 pt20 -47.68 153.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.659 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.571 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -88.19 128.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.54 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -96.72 70.89 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.15 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.462 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 6.0 mmmm -51.62 146.01 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.078 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 31.03 74.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.976 179.311 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.556 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 2.2 t -177.74 143.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.798 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 567' ' ' LEU . 11.9 mt -117.32 -13.12 10.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.484 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 56.4 m-80 -130.52 50.61 6.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.564 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.541 ' CG ' HG22 ' A' ' 602' ' ' THR . 91.0 Cg_endo -80.23 -172.67 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.88 2.387 . . . . 0.0 112.906 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.2 OUTLIER -134.76 117.06 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.368 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 580' ' ' VAL . 71.9 m-85 -81.49 -58.95 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 561' ' ' ILE . 4.7 t30 54.46 47.07 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.127 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.411 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.7 mm-40 -108.21 134.35 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.218 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -109.98 112.7 24.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.579 ' CD1' HD12 ' A' ' 582' ' ' LEU . 47.9 m-85 -94.1 172.55 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.284 0.564 . . . . 0.0 112.22 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.9 t80 -144.74 121.75 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.121 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.587 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.1 155.38 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -110.21 64.16 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.538 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.9 OUTLIER -129.44 146.86 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.795 179.594 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.7 OUTLIER -78.84 136.19 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.516 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 54.7 t-80 -46.64 -45.51 19.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -22.83 35.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.531 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 60.6 m-20 -102.49 -29.44 11.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.296 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 623' ' ' LYS . 0.0 OUTLIER -34.84 -67.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 179.693 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.554 ' CB ' HD11 ' A' ' 648' ' ' ILE . . . -34.82 -57.4 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.178 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -62.3 -19.69 63.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.61 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 620' ' ' LEU . 7.3 mmpt? -65.79 164.78 14.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.935 0.398 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.72 102.35 4.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.581 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 37.6 tp -80.08 129.11 34.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.914 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . 0.481 ' HB2' ' NZ ' ' A' ' 585' ' ' LYS . 34.3 t70 -109.49 94.0 4.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.201 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.447 ' CD1' ' CD1' ' A' ' 646' ' ' LEU . 1.9 mp -86.94 102.42 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.322 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.48 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 1.3 m -119.17 143.78 47.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.073 0.464 . . . . 0.0 111.862 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.512 ' CG2' HD23 ' A' ' 675' ' ' LEU . 18.4 t -112.33 119.52 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.258 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 49.3 m95 -118.03 146.44 44.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 111.486 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.462 ' OD1' ' HG3' ' A' ' 570' ' ' MET . 0.0 OUTLIER -84.35 118.73 24.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 24.1 t80 -69.76 163.84 24.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -157.47 130.93 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.756 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.69 139.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.271 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 636' ' ' LYS . . . 83.04 -15.47 32.75 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.724 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 635' ' ' GLY . 0.0 OUTLIER -143.82 -163.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 3.5 m -79.97 -172.3 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.794 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.76 -167.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.476 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 1.1 m-20 -139.32 156.86 46.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.616 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -94.56 115.13 27.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 86.2 mt -95.39 -42.59 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.485 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 156.36 157.84 8.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -155.46 -167.3 16.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.72 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 12.8 p -157.49 142.27 16.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.477 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 37.6 mt-30 -93.79 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 625' ' ' LEU . 14.5 mt -134.12 90.02 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 0.0 111.523 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.67 135.23 7.7 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.642 ' CD1' ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -53.58 -20.73 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 116.981 0.39 . . . . 0.0 111.518 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 17.4 t -73.91 -2.77 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.364 -179.807 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.477 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.584 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 21.9 tp -79.55 -42.28 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 68.0 mttm -56.15 -50.68 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.558 ' CD2' ' HB ' ' A' ' 669' ' ' ILE . 13.8 t-160 -69.68 -63.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.516 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 47.4 t-105 -47.76 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.801 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.642 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.5 OUTLIER -35.67 -55.09 0.71 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.392 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.468 ' HB3' HD11 ' A' ' 669' ' ' ILE . 6.2 mm-40 -38.19 -45.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.015 0.436 . . . . 0.0 110.531 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 549' ' ' MET . 18.9 t -48.55 -37.16 17.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.375 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 659' ' ' TYR . 1.1 mp -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.933 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.454 ' HG2' ' OE1' ' A' ' 660' ' ' GLU . 2.5 pttt -74.83 -36.36 62.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.393 0.616 . . . . 0.0 109.427 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 667' ' ' LYS . 1.2 m-20 -112.28 66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.6 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.516 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 2.5 mptt -55.4 -75.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -53.11 -18.7 2.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 664' ' ' ASN . 8.0 mttm -96.17 140.61 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -92.98 145.61 24.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.518 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.558 ' HB ' ' CD2' ' A' ' 657' ' ' HIS . 0.6 OUTLIER -117.26 108.53 25.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.255 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.478 ' HG2' ' HB3' ' A' ' 547' ' ' SER . 4.6 mt-10 -105.94 140.27 39.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 672' ' ' TRP . 0.0 OUTLIER -172.62 160.36 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.12 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.538 ' CG ' HD11 ' A' ' 545' ' ' LEU . 85.8 m95 -94.15 141.96 27.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.304 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.42 ' CE1' ' HD2' ' A' ' 671' ' ' ARG . 40.3 m-70 -120.1 131.77 55.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.35 102.15 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.512 HD23 ' CG2' ' A' ' 629' ' ' VAL . 82.0 mt -48.93 132.81 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.312 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -123.5 163.06 21.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.947 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.676 -0.17 . . . . 0.0 112.676 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.422 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 8.4 mtmm -140.86 136.21 32.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.643 0.259 . . . . 0.0 110.343 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.478 HG13 HG23 ' A' ' 580' ' ' VAL . 0.0 OUTLIER -113.68 127.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.721 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.581 HD11 ' CG ' ' A' ' 672' ' ' TRP . 16.9 tp -79.6 123.18 27.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.417 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.02 136.6 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.531 ' CB ' ' HG3' ' A' ' 670' ' ' GLU . 1.9 p -114.84 118.15 32.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.29 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 549' ' ' MET . 9.8 mt -102.47 157.99 16.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.013 0.435 . . . . 0.0 111.393 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.497 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.0 tmm? 175.72 126.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 617' ' ' HIS . 52.1 t80 -105.36 128.97 53.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.868 0.366 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.14 96.32 7.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.833 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.467 HG21 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -62.64 -36.84 84.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 109.824 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -49.81 -44.13 49.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.791 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -16.23 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.148 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.84 41.35 49.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -152.62 169.18 31.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.562 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.526 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.1 tp -93.76 160.13 14.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.714 0.293 . . . . 0.0 110.56 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.572 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -130.08 123.05 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 11.1 t -113.35 119.63 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.551 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -111.75 115.23 3.81 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.532 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.52 HG13 ' CG2' ' A' ' 596' ' ' THR . 42.2 mm -92.61 96.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 607' ' ' PHE . 2.5 mp -71.09 -73.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.16 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 1.5 ptm180 -161.68 175.07 12.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 111.792 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 5.6 p -129.57 159.34 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.903 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . 0.487 HG12 ' CH2' ' A' ' 672' ' ' TRP . 33.4 m -142.24 145.98 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.192 0.52 . . . . 0.0 112.315 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER 55.12 54.06 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.299 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 578' ' ' PRO . 11.7 mt -84.62 146.0 27.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.04 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -65.95 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.327 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.508 ' HB2' ' N ' ' A' ' 575' ' ' TYR . . . -117.63 110.09 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.978 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.537 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 2.3 mtm -86.12 -25.66 25.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -67.46 150.68 48.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.629 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.58 -6.79 21.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -83.98 -9.34 58.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.506 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 90.85 7.59 66.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.296 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.9 m-85 -125.88 -169.43 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 0.0 111.992 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.467 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 1.0 OUTLIER -153.5 -179.78 8.08 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.118 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.509 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 3.5 m-20 -125.55 56.83 15.64 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.534 ' CB ' HD11 ' A' ' 567' ' ' LEU . 30.5 Cg_endo -64.55 145.45 87.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.651 2.901 . . . . 0.0 115.733 -177.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.592 ' CE2' ' HD2' ' A' ' 581' ' ' LYS . 19.1 p90 -146.18 159.47 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.633 177.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.486 ' HB ' ' CG2' ' A' ' 596' ' ' THR . 21.2 t -110.92 131.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.429 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.592 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.3 OUTLIER -116.75 130.35 56.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.864 179.204 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -122.3 136.52 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.698 -178.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.533 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.8 t90 -143.74 118.33 9.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 15.0 tp -93.99 111.24 22.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.183 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.634 0.254 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.524 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 14.0 mttt -92.72 159.76 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 30.8 m-70 -154.12 173.73 15.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.051 0.453 . . . . 0.0 111.603 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -158.99 108.12 1.92 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.078 179.361 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.52 ' CG2' HG13 ' A' ' 561' ' ' ILE . 10.3 p -63.48 159.81 17.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.953 0.406 . . . . 0.0 111.091 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -42.73 143.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.314 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.57 HG22 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.61 120.87 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.113 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.527 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 12.1 mmtt -91.3 77.31 5.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.12 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.467 ' HA ' ' OD2' ' A' ' 577' ' ' ASP . 11.8 mmtm -59.31 151.24 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.738 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 600' ' ' LYS . 0.2 OUTLIER 31.98 69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.882 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.531 HG22 ' CG ' ' A' ' 605' ' ' PRO . 2.9 t -177.7 144.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.924 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 567' ' ' LEU . 15.7 mt -119.67 -12.38 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.563 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.9 m-80 -128.23 45.56 1.73 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.51 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 73.3 Cg_endo -74.52 -178.84 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.907 2.405 . . . . 0.0 112.813 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 29.6 tt0 -126.24 118.2 24.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.39 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.514 ' CG ' HG23 ' A' ' 561' ' ' ILE . 67.1 m-85 -83.63 -59.9 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.2 t-20 52.46 45.05 29.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.269 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.465 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 15.4 mm-40 -107.15 127.77 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.155 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.95 113.81 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 52.4 m-85 -95.62 173.05 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 112.148 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.6 t80 -144.02 121.14 11.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.236 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 7.6 m-85 -102.63 153.27 20.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.638 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.97 60.67 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.572 ' CG1' HD22 ' A' ' 620' ' ' LEU . 1.0 OUTLIER -124.09 137.42 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.7 132.68 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 550' ' ' TYR . 44.1 t-80 -45.4 -46.03 13.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' SER . . . . . 0.474 ' O ' ' HE3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -59.27 -15.57 16.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.254 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.533 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 86.0 m-20 -105.3 -28.99 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.578 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.572 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.19 -66.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.71 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.564 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -42.61 -41.59 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.474 ' HE3' ' O ' ' A' ' 618' ' ' SER . 0.0 OUTLIER -70.63 -14.08 62.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 111.22 -179.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.524 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 5.3 mmpt? -81.93 -177.0 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.408 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.79 105.04 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.173 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 43.4 tp -79.17 118.42 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 9.3 t0 -106.62 99.26 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.514 ' CD1' HD13 ' A' ' 646' ' ' LEU . 2.3 mp -93.31 106.3 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.471 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 59.8 p -117.72 131.74 56.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.5 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.527 ' CG2' HD23 ' A' ' 675' ' ' LEU . 11.9 t -101.31 128.15 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.323 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.585 ' CZ3' ' HB2' ' A' ' 640' ' ' TYR . 53.7 m95 -122.83 141.97 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.537 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 1.2 t0 -85.28 106.79 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.423 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 33.7 t80 -57.91 164.21 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.322 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -160.28 126.74 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.408 ' N ' HD11 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -87.52 136.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -21.85 28.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -170.96 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.2 p -80.06 148.98 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -56.42 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 78.7 m-20 -141.46 150.97 42.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.67 116.96 29.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 631' ' ' ASP . 69.4 mt -95.61 -43.36 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.473 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 154.57 161.64 10.64 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.573 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.83 -165.31 18.5 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.638 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.86 156.1 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.469 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 12.6 pt20 -102.09 141.99 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.55 HD23 ' CE1' ' A' ' 673' ' ' HIS . 14.1 mt -129.53 89.97 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.36 143.3 14.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.702 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.588 HD12 ' CE2' ' A' ' 659' ' ' TYR . 0.8 OUTLIER -60.13 -12.26 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.882 0.341 . . . . 0.0 111.663 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 34.2 t -87.1 13.04 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 109.984 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.186 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.25 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.941 0.401 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.586 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 26.5 tp -83.27 -47.95 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 10.9 mttt -51.34 -63.88 0.99 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.466 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 14.5 t-160 -54.36 -53.09 58.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.459 . . . . 0.0 110.809 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 58.8 t-105 -60.45 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.588 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.38 -60.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.056 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.544 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.5 pt-20 -42.89 -34.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.064 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 34.0 t -56.69 -41.65 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.54 ' O ' ' CD ' ' A' ' 665' ' ' LYS . 0.6 OUTLIER -60.63 -25.69 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.936 178.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.38 17.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.812 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.518 ' ND2' ' HD3' ' A' ' 667' ' ' LYS . 5.4 m-20 -106.27 59.32 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.666 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 2.7 mppt? -49.7 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 3.7 p30 -48.95 -21.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.387 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.518 ' HD3' ' ND2' ' A' ' 664' ' ' ASN . 39.2 mttt -86.21 130.19 34.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.757 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.468 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 0.2 OUTLIER -79.95 153.99 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.47 . . . . 0.0 111.494 -179.529 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.7 OUTLIER -126.78 159.37 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.315 179.362 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.531 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 0.0 OUTLIER -158.81 125.51 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.429 ' HG2' ' C ' ' A' ' 670' ' ' GLU . 0.6 OUTLIER -153.69 163.78 39.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.518 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.581 ' CG ' HD11 ' A' ' 545' ' ' LEU . 84.9 m95 -102.61 132.35 48.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.68 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.55 ' CE1' HD23 ' A' ' 646' ' ' LEU . 87.1 m-70 -113.91 131.19 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.422 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 1.4 pt20 -79.28 103.33 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.527 HD23 ' CG2' ' A' ' 629' ' ' VAL . 80.0 mt -44.41 130.67 6.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.249 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.7 mt-30 -127.5 160.69 30.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.875 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.639 -0.184 . . . . 0.0 112.639 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.83 137.65 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.658 0.266 . . . . 0.0 110.416 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -114.34 129.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.657 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 672' ' ' TRP . 18.7 tp -79.64 123.73 27.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 89.7 t -121.68 131.46 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.667 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 92.6 p -113.15 121.67 45.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.908 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.518 ' CB ' ' SG ' ' A' ' 661' ' ' CYS . 4.5 mt -101.68 167.99 9.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.878 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.534 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER 171.44 132.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.322 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 50.7 t80 -111.51 138.72 47.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.106 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.61 97.82 6.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.617 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.48 HG21 ' HD2' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.74 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 0.0 110.15 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -43.99 51.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.109 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -92.28 -19.12 22.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.39 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.56 39.72 29.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.493 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -149.62 169.48 29.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.705 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.54 ' HA ' ' CD1' ' A' ' 550' ' ' TYR . 6.7 tp -95.6 162.08 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.705 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.566 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -130.04 123.48 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.99 0.424 . . . . 0.0 111.035 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.51 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 7.3 t -114.2 119.27 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.828 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.27 117.49 4.72 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.403 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.518 ' CD1' HD22 ' A' ' 582' ' ' LEU . 49.2 mm -95.35 97.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.528 ' CB ' HD22 ' A' ' 545' ' ' LEU . 2.5 mp -71.76 -74.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.3 OUTLIER -159.57 176.45 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 112.02 -178.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 7.4 p -131.36 159.13 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.934 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.87 145.05 23.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 112.277 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 3.8 t60 56.65 59.17 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.549 HD11 ' CB ' ' A' ' 578' ' ' PRO . 12.2 mt -90.12 161.53 15.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.449 ' HB2' ' HE2' ' A' ' 570' ' ' MET . . . -80.11 152.09 29.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.511 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -117.86 109.43 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.783 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.53 ' SD ' ' CB ' ' A' ' 631' ' ' ASP . 0.0 OUTLIER -79.06 -31.31 44.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.366 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -67.04 150.09 49.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.78 -5.75 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -82.9 -11.32 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.511 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.84 5.59 59.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.61 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.533 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -124.53 -169.33 1.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 112.154 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.476 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.6 OUTLIER -157.11 176.27 12.96 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.406 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 599' ' ' LYS . 28.9 m-20 -120.41 58.4 6.09 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.549 ' CB ' HD11 ' A' ' 567' ' ' LEU . 30.2 Cg_endo -64.66 136.86 51.69 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 123.518 2.812 . . . . 0.0 115.347 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 17.5 p90 -135.76 161.13 36.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.832 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 607' ' ' PHE . 24.7 t -113.65 138.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.721 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.4 mttp -117.3 148.52 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.626 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.518 HD22 ' CD1' ' A' ' 561' ' ' ILE . 0.0 OUTLIER -136.81 132.15 34.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.9 0.381 . . . . 0.0 111.3 -179.465 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.549 ' CD1' ' HB2' ' A' ' 592' ' ' ALA . 4.1 t90 -142.2 118.33 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.188 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.572 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 13.9 tp -97.22 109.06 21.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.915 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.535 ' CG ' ' OG ' ' A' ' 624' ' ' SER . 8.3 ptmt . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 121.215 0.531 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.549 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.538 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 42.0 mttt -76.6 151.35 36.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 593' ' ' LYS . 13.1 m-70 -144.93 -178.69 6.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.206 0.526 . . . . 0.0 111.639 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.25 130.66 5.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.156 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 580' ' ' VAL . 4.5 p -90.46 167.34 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -45.05 149.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.709 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.583 HG23 ' CG ' ' A' ' 632' ' ' TYR . 10.5 mm -84.38 125.33 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.51 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.528 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 6.9 mmpt? -92.5 75.14 5.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.524 ' CE ' HD13 ' A' ' 634' ' ' ILE . 28.3 mmtm -52.36 143.84 14.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.045 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 32.16 74.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.883 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.545 ' CG2' ' HB3' ' A' ' 605' ' ' PRO . 3.0 t -178.09 145.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 15.1 mt -118.86 -12.58 9.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 38.7 m-80 -127.82 46.18 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 71.1 Cg_endo -74.66 -178.89 4.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.969 2.446 . . . . 0.0 113.29 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.476 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.9 tt0 -127.25 118.15 23.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.401 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 580' ' ' VAL . 67.2 m-85 -85.28 -60.75 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.226 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 561' ' ' ILE . 13.0 t-20 53.82 46.47 25.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.029 0.443 . . . . 0.0 110.21 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.466 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.4 OUTLIER -107.39 127.89 53.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.235 -179.543 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.94 114.4 28.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.51 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 44.4 m-85 -95.61 174.45 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.288 0.566 . . . . 0.0 112.039 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.2 t80 -144.47 119.21 9.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.243 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.572 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.0 m-85 -100.56 151.91 21.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.655 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.45 67.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.217 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.579 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.8 OUTLIER -131.89 142.32 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 619' ' ' ASP . 19.9 mtmt -72.37 129.96 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.584 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 47.0 t-80 -42.73 -47.22 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' SER . . . . . 0.424 ' O ' ' HE2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -54.68 -22.72 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.539 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 20.5 m-20 -101.09 -28.83 12.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.579 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.63 -67.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.687 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.563 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -39.86 -48.68 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.508 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.46 -15.97 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -179.177 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.532 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 5.8 mmpt? -76.72 173.78 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.11 0.481 . . . . 0.0 111.374 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' SER . . . . . 0.535 ' OG ' ' CG ' ' A' ' 585' ' ' LYS . 0.4 OUTLIER -150.38 109.42 3.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.043 178.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 15.5 tp -79.81 149.79 30.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.875 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.04 95.05 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.008 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.502 HG21 ' CG1' ' A' ' 580' ' ' VAL . 2.8 mp -87.93 101.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.443 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.461 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.7 m -112.6 136.62 51.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.531 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.517 ' CG2' HD23 ' A' ' 675' ' ' LEU . 14.0 t -108.95 125.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.347 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.8 m95 -123.69 149.61 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.718 0.294 . . . . 0.0 111.735 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.53 ' CB ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -83.74 109.04 17.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.851 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 28.6 t80 -69.93 161.63 29.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.428 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.603 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.16 130.39 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.47 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.524 HD13 ' CE ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER -89.49 134.06 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 111.289 -179.814 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.78 40.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.61 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -168.89 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.958 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 15.0 m -81.05 -162.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -117.61 -164.1 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -158.19 138.17 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 9.3 t80 -79.51 121.2 24.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.884 0.374 . . . . 0.0 111.184 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 50.5 mt -96.9 -35.39 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.69 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.461 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 147.45 159.74 8.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.693 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.469 ' HA2' HD21 ' A' ' 675' ' ' LEU . . . -167.11 -165.04 23.85 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.404 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.1 m -161.83 178.51 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -124.6 142.67 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.756 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 673' ' ' HIS . 12.0 mt -128.82 103.17 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -148.96 145.03 12.92 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.754 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.624 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.0 OUTLIER -57.36 -14.75 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 120.915 0.388 . . . . 0.0 111.568 -179.421 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 47.8 t -81.1 5.29 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.092 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.184 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.399 -179.79 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 24.9 tp -60.04 -35.52 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 3.1 mtpp -63.31 -50.44 70.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.525 ' ND1' ' HG2' ' A' ' 671' ' ' ARG . 22.7 t-160 -65.69 -62.55 1.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.267 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -50.22 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.236 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.588 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.08 -64.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.737 -179.641 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.528 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.5 pt-20 -42.25 -31.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.472 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.518 ' SG ' ' CB ' ' A' ' 548' ' ' LEU . 76.1 m -57.35 -42.68 82.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 659' ' ' TYR . 1.2 mp -60.6 -28.95 68.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.144 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.524 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 10.9 pttt -83.19 -47.02 12.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.979 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.524 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 92.6 m-20 -106.19 58.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.488 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.584 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.5 OUTLIER -57.62 -73.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.165 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.23 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.779 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.0 OUTLIER -98.82 137.09 37.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 110.814 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.534 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.08 142.01 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.2 OUTLIER -109.26 168.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.423 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.45 ' OE2' HG12 ' A' ' 562' ' ' ILE . 0.6 OUTLIER -158.13 135.8 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.398 . . . . 0.0 111.201 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.525 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -163.89 156.45 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.935 179.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.576 ' CD1' HD11 ' A' ' 545' ' ' LEU . 81.2 m95 -96.72 135.37 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.559 ' CE1' HD23 ' A' ' 646' ' ' LEU . 94.0 m-70 -115.31 130.17 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 111.99 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.517 HD23 ' CG2' ' A' ' 629' ' ' VAL . 74.0 mt -59.28 136.12 57.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -126.52 162.06 26.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.655 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.763 -0.135 . . . . 0.0 112.763 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -126.6 137.97 53.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.469 HG13 HG23 ' A' ' 580' ' ' VAL . 0.0 OUTLIER -116.6 126.66 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.077 0.465 . . . . 0.0 111.821 -179.458 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.586 HD11 ' CG ' ' A' ' 672' ' ' TRP . 17.5 tp -79.66 125.74 30.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.359 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 54.2 t -123.21 140.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.365 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 560' ' ' GLY . 37.4 t -116.93 143.86 45.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.239 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.484 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 81.7 mt -128.6 160.95 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.117 0.484 . . . . 0.0 111.787 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.528 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 2.4 tmm? 175.95 107.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 54.9 t80 -83.25 130.9 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.494 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.19 90.61 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.854 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.529 ' CG2' ' HD2' ' A' ' 665' ' ' LYS . 1.1 p -54.87 -38.07 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 0.0 110.361 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -46.27 56.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.66 -16.03 33.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.592 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.29 58.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.509 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.23 172.75 32.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.547 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 613' ' ' TYR . 7.0 tp -102.36 134.33 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 111.06 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.59 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.3 mm -105.03 116.86 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.508 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 1.5 t -98.41 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.038 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -136.66 107.32 0.6 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.94 -1.124 . . . . 0.0 113.704 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.524 ' CD1' HD23 ' A' ' 582' ' ' LEU . 12.4 mm -86.59 97.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 607' ' ' PHE . 2.1 mp -75.98 -77.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.2 OUTLIER -155.66 170.24 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.058 0.456 . . . . 0.0 111.617 -179.064 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 2.4 p -127.53 158.73 36.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.08 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.9 m -143.22 144.37 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.228 0.537 . . . . 0.0 112.232 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 62.37 50.85 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.331 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.538 HD11 ' CB ' ' A' ' 578' ' ' PRO . 10.9 mt -86.27 141.97 28.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.183 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.99 156.38 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.496 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.28 115.55 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.493 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.3 mmt -83.85 -22.62 31.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.811 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.83 157.65 18.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.02 -2.9 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -11.27 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.23 7.0 59.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.578 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.41 -168.8 1.74 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.758 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.524 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 1.2 m -158.74 -179.36 7.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.346 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.461 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 1.7 m-20 -126.55 56.95 18.6 Favored Pre-proline 0 C--N 1.33 -0.239 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.538 ' CB ' HD11 ' A' ' 567' ' ' LEU . 37.0 Cg_endo -66.89 144.97 72.85 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.57 2.847 . . . . 0.0 115.539 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 13.1 p90 -142.46 161.04 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.498 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 595' ' ' LYS . 16.7 t -113.58 137.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.589 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.0 mttp -116.19 133.06 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.641 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 611' ' ' PHE . 0.0 OUTLIER -119.78 136.35 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 111.512 -178.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.576 ' CD1' ' HB2' ' A' ' 592' ' ' ALA . 3.4 t90 -145.57 115.05 7.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 613' ' ' TYR . 13.2 tp -92.5 113.72 26.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 624' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.704 0.288 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -77.87 138.72 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.484 ' O ' ' HB3' ' A' ' 581' ' ' LYS . 5.0 m-70 -132.61 178.65 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.48 128.9 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.477 HG22 ' HB ' ' A' ' 580' ' ' VAL . 1.5 p -87.9 168.83 12.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.996 0.426 . . . . 0.0 111.155 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -44.69 156.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.576 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -89.83 125.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -94.19 72.42 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 109.748 179.058 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.461 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 8.6 mmtp -57.97 148.99 24.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.011 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.425 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.4 mmtm 38.55 69.48 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.211 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.581 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 2.9 t 179.09 142.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.835 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.524 ' CD2' ' HB2' ' A' ' 576' ' ' SER . 9.9 mt -117.18 -11.73 10.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.535 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.4 m-80 -128.65 47.43 2.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.545 ' CG ' HG22 ' A' ' 602' ' ' THR . 98.7 Cg_endo -79.26 -177.08 3.63 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.872 2.381 . . . . 0.0 113.093 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 13.3 tt0 -132.07 114.84 15.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.287 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 599' ' ' LYS . 67.6 m-85 -80.02 -50.34 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.488 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.4 p-10 46.15 50.32 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 0.0 110.255 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.467 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.8 mm-40 -110.04 136.85 48.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.124 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -109.53 115.67 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 582' ' ' LEU . 38.9 m-85 -97.04 176.91 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.247 0.546 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.59 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.3 t80 -144.81 126.44 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.598 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 9.8 m-85 -108.71 155.36 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -111.51 61.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.909 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.585 ' CG1' HD22 ' A' ' 620' ' ' LEU . 1.1 tp -125.25 142.98 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -71.8 135.33 46.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.59 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 29.6 t-80 -46.69 -49.26 19.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.361 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -12.19 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.608 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.542 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 5.1 m-20 -106.7 -27.07 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.61 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.585 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.2 OUTLIER -36.25 -67.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.379 179.328 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.567 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -41.87 -40.48 2.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.633 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -15.41 63.41 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.548 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -90.22 179.92 5.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.711 -179.51 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 585' ' ' LYS . 0.7 OUTLIER -150.82 111.7 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 42.9 tp -79.46 114.0 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -98.04 105.27 17.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.476 HG21 ' CG1' ' A' ' 580' ' ' VAL . 3.2 mp -95.89 108.73 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.474 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 70.9 m -115.26 147.67 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.523 ' CG2' HD23 ' A' ' 675' ' ' LEU . 17.2 t -123.23 120.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.649 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.589 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 37.7 m95 -119.14 144.46 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.516 -179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.493 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -84.41 114.06 21.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.031 0.444 . . . . 0.0 110.426 179.233 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 28.4 t80 -70.54 162.4 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.281 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -160.0 126.28 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.718 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -87.69 135.3 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 111.212 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.89 -15.39 32.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.666 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 -165.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.45 158.55 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -164.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.464 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 5.3 m-20 -160.25 141.05 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 6.2 t80 -80.0 123.87 28.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.208 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 27.2 mt -102.05 -36.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.482 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.477 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 144.67 160.06 8.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.61 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -153.94 -161.09 10.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.58 153.81 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.458 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 1.5 pt20 -106.72 137.8 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.554 ' CD1' ' NE2' ' A' ' 673' ' ' HIS . 13.4 mt -124.17 89.9 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.16 143.54 15.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.907 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.587 HD12 ' CE2' ' A' ' 659' ' ' TYR . 0.9 OUTLIER -57.36 -13.93 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 120.826 0.346 . . . . 0.0 111.848 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 38.9 t -88.49 15.62 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.036 0.446 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.464 -179.695 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.584 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 20.2 tp -88.23 -42.42 12.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.092 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 42.1 mttt -55.49 -57.33 12.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.484 ' NE2' ' HG ' ' A' ' 548' ' ' LEU . 17.8 t-160 -59.56 -55.56 32.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 110.976 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 66.5 t-105 -59.01 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.278 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.587 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -40.1 -63.99 0.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 656' ' ' LYS . 7.7 pt-20 -43.41 -32.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.299 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 14.0 t -60.21 -38.65 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.658 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.6 OUTLIER -61.62 -28.97 69.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.059 179.013 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -39.76 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.872 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.531 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.5 m-20 -104.68 48.67 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.59 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 21.8 mtmt -36.4 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . 0.439 ' O ' ' SD ' ' A' ' 549' ' ' MET . 3.3 t0 -45.33 -24.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.531 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 2.0 mmmm -81.13 134.71 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.528 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.18 158.37 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 0.0 111.501 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.7 OUTLIER -139.18 155.97 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.41 179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.509 ' CG ' ' HB2' ' A' ' 547' ' ' SER . 21.8 mt-10 -153.16 132.21 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 0.0 111.075 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.471 ' HG3' ' HB2' ' A' ' 657' ' ' HIS . 2.4 mmt-85 -153.79 168.5 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.369 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.586 ' CG ' HD11 ' A' ' 545' ' ' LEU . 81.8 m95 -105.64 133.01 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.763 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.554 ' NE2' ' CD1' ' A' ' 646' ' ' LEU . 48.0 m-70 -115.43 129.02 56.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.3 115.1 16.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.523 HD23 ' CG2' ' A' ' 629' ' ' VAL . 69.8 mt -58.59 134.47 56.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -126.87 160.13 31.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.668 -0.173 . . . . 0.0 112.668 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -124.75 138.6 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.616 0.246 . . . . 0.0 110.437 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.488 HG13 HG23 ' A' ' 580' ' ' VAL . 0.0 OUTLIER -116.53 131.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.078 0.466 . . . . 0.0 111.695 -179.59 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.582 HD11 ' CD2' ' A' ' 672' ' ' TRP . 14.6 tp -86.87 121.49 29.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.68 132.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 82.6 p -113.58 122.07 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.539 ' CD1' ' HA ' ' A' ' 658' ' ' TRP . 19.3 mt -95.73 165.82 12.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.487 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.541 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 1.3 ttp 173.61 119.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.065 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 53.3 t80 -102.64 136.56 42.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.004 0.431 . . . . 0.0 111.245 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.9 97.14 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.744 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.521 ' CG2' ' CD ' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.91 -34.71 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.122 0.487 . . . . 0.0 110.084 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.03 -42.45 28.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.052 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -97.23 -19.82 18.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.585 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 79.29 38.41 21.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.379 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.533 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -146.43 169.03 27.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.511 ' HA ' ' CD1' ' A' ' 550' ' ' TYR . 8.0 tp -95.78 159.0 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.756 0.312 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.3 mm -129.02 118.53 46.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.525 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 11.3 t -106.03 120.59 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.755 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -107.56 123.16 7.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.278 -0.963 . . . . 0.0 113.433 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.527 ' CD1' HD23 ' A' ' 582' ' ' LEU . 11.8 mm -100.95 95.47 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.522 ' CD1' ' HG ' ' A' ' 545' ' ' LEU . 1.8 mp -72.09 -76.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -159.03 167.65 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 111.914 -179.006 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 1.8 p -124.57 159.84 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.849 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.28 148.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.285 0.564 . . . . 0.0 112.482 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.523 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 63.71 44.29 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.49 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' ' 578' ' ' PRO . 36.8 mt -84.15 155.21 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -79.19 157.19 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.35 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.503 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -119.76 108.85 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.526 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 2.3 mtm -87.21 -23.88 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.016 0.436 . . . . 0.0 110.689 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.91 157.78 29.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.88 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.27 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.47 -5.28 43.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.984 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.503 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 89.58 6.45 70.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.287 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -124.73 -169.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 111.866 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 0.4 OUTLIER -154.04 171.91 18.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.306 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.527 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.5 m-20 -119.01 60.53 4.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.542 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 35.7 Cg_endo -66.69 143.16 66.8 Favored 'Trans proline' 0 CA--C 1.526 0.081 0 C-N-CA 123.41 2.74 . . . . 0.0 115.195 -177.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.0 p90 -143.55 160.67 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.068 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.517 HG22 ' CE2' ' A' ' 607' ' ' PHE . 19.7 t -112.92 131.23 65.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.754 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 2.0 mttm -114.44 130.6 56.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.269 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.527 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.1 OUTLIER -116.24 140.66 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 111.827 -178.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.545 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.8 t90 -148.61 114.39 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.117 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.595 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.3 tp -91.21 120.28 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.586 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 2.3 mttp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.341 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.542 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.749 0.309 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 8.0 mptt -76.06 164.38 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 5.6 m-70 -160.17 172.81 16.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.164 0.507 . . . . 0.0 111.905 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.64 123.72 3.36 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.838 179.336 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.493 HG21 ' CE1' ' A' ' 611' ' ' PHE . 1.5 p -86.17 174.04 9.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.996 0.427 . . . . 0.0 111.406 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -47.3 141.67 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.676 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.602 HG23 ' CG ' ' A' ' 632' ' ' TYR . 2.8 mm -78.46 124.12 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.508 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.531 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -93.25 71.39 4.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.869 179.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.2 OUTLIER -66.29 141.93 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.656 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 56.53 62.65 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.664 179.42 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.55 ' CG2' ' HB3' ' A' ' 605' ' ' PRO . 5.3 t 178.46 148.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.962 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.518 ' CD2' ' HB2' ' A' ' 576' ' ' SER . 16.9 mt -118.53 -13.17 9.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.486 ' ND2' ' N ' ' A' ' 604' ' ' ASN . 0.0 OUTLIER -133.74 52.03 7.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.55 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 74.0 Cg_endo -77.93 -172.91 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.945 2.43 . . . . 0.0 113.238 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 33.9 tt0 -131.27 119.32 21.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.367 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.555 ' CE2' ' SG ' ' A' ' 564' ' ' CYS . 69.3 m-85 -85.35 -53.41 5.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.395 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.7 OUTLIER 48.37 50.71 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.171 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.472 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.2 mt-10 -110.91 139.88 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.224 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 29.8 m-85 -90.4 172.28 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.889 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.3 t80 -142.9 121.17 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.526 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.595 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.8 m-85 -102.86 154.01 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -108.14 65.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.588 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.8 OUTLIER -131.79 143.91 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.453 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -75.13 134.55 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.565 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 43.0 t-80 -45.42 -44.04 11.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -21.72 58.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.522 ' CB ' HD12 ' A' ' 615' ' ' ILE . 58.3 m-20 -102.36 -29.26 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.588 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.56 -67.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.557 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -39.3 -52.19 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.686 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . 0.51 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -64.16 -15.62 60.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.263 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.521 ' CE ' HD12 ' A' ' 615' ' ' ILE . 0.2 OUTLIER -71.5 -179.57 2.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.659 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' SER . . . . . 0.418 ' N ' HD13 ' A' ' 584' ' ' LEU . 54.3 p -154.9 104.63 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.316 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 646' ' ' LEU . 62.7 tp -80.42 122.26 26.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.21 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -108.04 97.37 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 646' ' ' LEU . 2.4 mp -91.72 112.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.484 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 10.3 m -124.66 139.47 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 111.361 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.519 ' CG2' HD23 ' A' ' 675' ' ' LEU . 4.0 t -108.47 129.59 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.598 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 48.1 m95 -126.32 151.16 47.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 111.259 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.526 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.3 OUTLIER -87.92 133.21 33.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.132 0.491 . . . . 0.0 110.598 179.502 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.602 ' CG ' HG23 ' A' ' 598' ' ' ILE . 19.0 t80 -89.07 148.65 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.964 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 636' ' ' LYS . 50.7 m-20 -155.18 106.27 2.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.95 128.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.211 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.75 -7.37 50.11 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.76 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 633' ' ' ASP . 5.1 mmtt -106.35 175.63 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.059 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 15.7 m -96.61 30.91 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . 0.461 ' OD1' ' HA ' ' A' ' 632' ' ' TYR . 90.7 m-20 62.0 -176.8 0.13 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 631' ' ' ASP . 2.9 m-20 -144.79 154.58 42.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.204 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.598 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.19 119.35 32.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.69 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 64.3 mt -99.36 -38.85 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.473 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 151.75 160.46 9.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.45 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.484 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.14 -168.36 23.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.664 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.03 12.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.461 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 3.5 pt20 -120.27 156.67 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 625' ' ' LEU . 47.6 mt -146.76 94.3 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.08 137.71 9.02 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.645 ' CD1' ' CD2' ' A' ' 659' ' ' TYR . 1.2 tt -52.44 -19.03 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 120.825 0.345 . . . . 0.0 111.764 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 26.0 t -74.54 -1.85 23.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 0.0 110.334 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 N--CA 1.455 -0.182 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.405 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.485 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 2.3 mmt85 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.952 0.405 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.573 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 25.3 tp -89.93 -62.11 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.533 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 1.7 ptpt -42.42 -52.95 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.082 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.639 ' CD2' ' CG ' ' A' ' 671' ' ' ARG . 6.3 t-80 -63.61 -62.02 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.65 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 55.7 t-105 -55.13 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.993 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.645 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.5 OUTLIER -31.18 -57.67 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.939 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.498 ' OE1' ' CD ' ' A' ' 663' ' ' LYS . 25.3 mm-40 -38.03 -48.87 1.24 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.165 0.507 . . . . 0.0 110.342 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 33.6 t -43.31 -37.25 2.16 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.26 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 659' ' ' TYR . 1.6 mp -71.4 -35.69 71.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.751 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.498 ' CD ' ' OE1' ' A' ' 660' ' ' GLU . 0.2 OUTLIER -79.38 -36.66 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.938 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.542 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.6 m-20 -108.66 48.95 0.83 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.565 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 3.4 mtmt -36.22 -81.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -50.92 -20.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.542 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 3.0 mmtt -88.16 158.29 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.465 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.1 OUTLIER -105.06 143.85 32.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 0.0 111.671 -179.436 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.56 HG23 ' CD2' ' A' ' 657' ' ' HIS . 1.2 mm -123.66 92.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.113 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.503 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 10.3 pm0 -103.58 133.67 48.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 111.819 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.639 ' CG ' ' CD2' ' A' ' 657' ' ' HIS . 15.5 mmt180 -152.25 178.84 9.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.208 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.582 ' CD2' HD11 ' A' ' 545' ' ' LEU . 87.6 m95 -110.64 131.94 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.51 ' NE2' HD13 ' A' ' 646' ' ' LEU . 4.4 m-70 -115.41 129.68 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.33 102.23 5.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.519 HD23 ' CG2' ' A' ' 629' ' ' VAL . 88.2 mt -45.33 130.45 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.453 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 66.9 mt-30 -119.64 174.41 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.635 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.727 -0.149 . . . . 0.0 112.727 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -124.29 143.42 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -120.16 128.12 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.055 0.455 . . . . 0.0 112.006 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.559 HD11 ' CG ' ' A' ' 672' ' ' TRP . 17.3 tp -79.53 116.07 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 544' ' ' ILE . 64.2 t -117.26 129.79 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.726 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.6 OUTLIER -106.8 147.86 29.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.109 179.187 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 549' ' ' MET . 26.2 mt -130.06 161.77 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 111.728 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 558' ' ' ILE . 13.5 ttp 174.85 133.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.099 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.525 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 48.0 t80 -109.85 132.53 54.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 111.44 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.25 79.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.891 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.432 HG21 ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -45.89 -41.41 11.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.202 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -46.11 54.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.136 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.64 -19.26 33.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.07 39.42 32.48 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.357 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.525 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.64 168.25 33.75 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.743 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.521 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 10.1 tp -93.67 161.6 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -129.96 119.2 46.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.964 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.489 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 1.7 t -107.01 120.47 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -106.32 109.63 3.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.376 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.528 ' CD1' HD22 ' A' ' 582' ' ' LEU . 3.7 mm -87.92 98.01 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.529 ' CB ' HD22 ' A' ' 545' ' ' LEU . 2.0 mp -75.5 -78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.066 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.476 ' HG2' HG23 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -158.7 170.83 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.42 . . . . 0.0 112.042 -178.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.8 p -128.42 160.55 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.947 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.78 150.07 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 60.95 43.34 11.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.507 179.233 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.54 HD11 ' CB ' ' A' ' 578' ' ' PRO . 66.3 mt -81.48 162.8 23.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.68 163.32 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.495 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -116.41 118.46 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.051 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -84.28 -21.33 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.75 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -91.42 159.07 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.71 -1.35 18.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 -12.47 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.719 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.6 4.81 60.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.62 -169.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 111.874 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.471 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.8 OUTLIER -159.55 176.91 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.452 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 632' ' ' TYR . 2.6 m-20 -119.92 57.17 4.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.54 ' CB ' HD11 ' A' ' 567' ' ' LEU . 29.8 Cg_endo -64.63 138.51 59.39 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 123.318 2.679 . . . . 0.0 115.342 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 10.0 p90 -137.7 162.44 33.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.364 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.567 HG22 ' CE2' ' A' ' 607' ' ' PHE . 20.4 t -113.5 129.26 69.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.599 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.3 mttp -111.61 130.07 55.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.913 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' A' ' 561' ' ' ILE . 0.0 OUTLIER -121.75 136.34 54.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 0.0 111.695 -179.088 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.579 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 3.3 t90 -142.78 119.37 11.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.672 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 19.1 tp -90.63 110.86 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.977 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.461 ' HG3' ' OG ' ' A' ' 624' ' ' SER . 1.8 mttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.738 0.304 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.579 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 2.8 mmtp -69.61 155.41 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.501 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 7.5 m-70 -156.62 170.2 22.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -161.07 119.0 2.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.401 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.475 HG21 ' O ' ' A' ' 580' ' ' VAL . 19.4 p -69.61 176.52 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.42 146.54 53.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.228 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.575 HG23 ' CG ' ' A' ' 632' ' ' TYR . 4.3 mm -78.35 122.55 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.517 ' O ' ' CG2' ' A' ' 602' ' ' THR . 3.6 mmpt? -94.97 62.73 2.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.288 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 31.5 mmtm -35.02 146.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.2 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 601' ' ' LYS . 0.0 OUTLIER 35.95 79.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.392 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.565 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 3.0 t 177.77 144.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.078 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 9.7 mt -117.7 -12.23 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -133.47 51.73 7.26 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.543 ' CG ' HG22 ' A' ' 602' ' ' THR . 97.0 Cg_endo -78.65 177.16 9.06 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.918 2.412 . . . . 0.0 113.277 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 29.8 tt0 -125.58 112.56 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.264 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 580' ' ' VAL . 58.3 m-85 -79.91 -58.1 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.354 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 561' ' ' ILE . 26.3 t-20 54.2 47.34 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.096 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.438 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.5 mm-40 -106.86 136.34 46.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.295 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.95 108.33 19.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.461 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 21.1 m-85 -90.13 172.05 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.985 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.5 t80 -144.77 122.79 12.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.625 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 8.2 m-85 -104.44 149.74 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 614' ' ' ASP . 3.8 p-10 -104.93 51.16 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.773 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.583 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.9 OUTLIER -115.18 142.59 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.939 0.4 . . . . 0.0 110.741 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -72.66 139.23 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.573 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.574 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 50.9 t-80 -49.13 -47.16 45.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 1.3 m -59.5 -13.44 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.532 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 18.4 m-20 -108.53 -30.17 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.583 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.08 -65.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.559 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -38.17 -55.26 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.648 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.18 52.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.303 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.53 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 10.8 mmpt? -69.76 -178.58 1.55 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.148 0.499 . . . . 0.0 111.161 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' SER . . . . . 0.461 ' OG ' ' HG3' ' A' ' 585' ' ' LYS . 52.4 p -158.19 103.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.185 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 646' ' ' LEU . 57.1 tp -80.93 123.28 28.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.191 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -109.25 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.524 HG21 ' CG1' ' A' ' 580' ' ' VAL . 1.4 mp -91.01 104.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.492 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 0.3 OUTLIER -118.27 145.0 45.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.516 ' CG2' HD23 ' A' ' 675' ' ' LEU . 6.1 t -111.58 127.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.743 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.585 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 31.7 m95 -121.77 147.14 46.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.492 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -84.33 114.66 22.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 109.9 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.575 ' CG ' HG23 ' A' ' 598' ' ' ILE . 40.3 t80 -75.74 162.1 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.444 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.571 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 37.8 m-20 -160.52 125.13 3.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.798 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . 0.457 HD11 ' HE3' ' A' ' 600' ' ' LYS . 0.0 OUTLIER -82.72 134.07 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 91.59 -17.93 54.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.797 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.36 -166.42 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -79.8 -167.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . 0.423 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 4.5 m120 -107.19 -168.62 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.5 m-20 -152.58 141.37 21.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -85.59 118.1 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.046 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.469 HD13 ' HB3' ' A' ' 578' ' ' PRO . 61.4 mt -93.89 -39.87 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 154.23 159.68 9.35 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.145 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.72 -170.57 23.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.894 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.75 173.07 14.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.738 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . 0.459 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 14.1 pt20 -122.95 146.07 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.509 HD23 ' CE1' ' A' ' 673' ' ' HIS . 19.3 mt -138.41 93.94 2.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.31 136.31 7.39 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.589 HD12 ' CE2' ' A' ' 659' ' ' TYR . 1.2 tt -51.67 -19.3 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 120.798 0.332 . . . . 0.0 111.589 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 46.8 t -73.46 -3.75 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.255 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.563 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 22.0 tp -82.53 -46.47 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.56 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 5.4 ptpt -54.21 -55.67 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.56 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 19.6 t-160 -60.43 -58.19 9.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.109 0.48 . . . . 0.0 110.611 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.571 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.6 t-105 -59.71 -80.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.589 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -37.45 -65.98 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.32 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.553 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -43.4 -31.67 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.204 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 18.7 t -58.97 -41.3 87.23 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.5 OUTLIER -58.68 -36.23 73.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.928 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 660' ' ' GLU . 11.8 mtmt -79.98 -45.25 18.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.372 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.493 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 30.6 m-20 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.311 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.574 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 2.9 mttt -52.5 -88.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.788 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -36.53 -28.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.817 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.3 mmtp -80.99 128.55 33.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.885 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.44 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.5 OUTLIER -81.18 125.9 30.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.9 OUTLIER -106.13 152.67 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.79 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.1 OUTLIER -151.88 147.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.142 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.553 ' HD2' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -169.54 156.3 6.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.886 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.559 ' CG ' HD11 ' A' ' 545' ' ' LEU . 86.0 m95 -91.9 131.96 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.32 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.553 ' CE1' ' HD2' ' A' ' 671' ' ' ARG . 86.5 m-70 -113.06 130.01 56.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 5.8 pm0 -77.32 103.25 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.688 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.516 HD23 ' CG2' ' A' ' 629' ' ' VAL . 85.8 mt -45.86 129.63 9.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.356 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 63.6 mt-30 -125.87 160.32 30.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.832 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.8 -0.12 . . . . 0.0 112.8 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 564' ' ' CYS . 11.1 mtmt -133.09 142.89 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -117.79 124.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.567 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' LEU . . . . . 0.534 HD12 ' NE1' ' A' ' 672' ' ' TRP . 19.8 tp -79.81 123.54 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 65.2 t -123.08 138.6 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' SER . . . . . 0.473 ' HB2' ' HG3' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -116.03 126.78 54.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.389 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' LEU . . . . . 0.533 ' CD1' ' HA ' ' A' ' 658' ' ' TRP . 12.1 mt -105.94 152.25 23.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.973 0.416 . . . . 0.0 111.194 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.528 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 3.0 ttp -173.59 124.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' A' ' 665' ' ' LYS . 44.5 t80 -103.78 131.63 50.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.64 82.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' THR . . . . . 0.526 ' CG2' ' HD2' ' A' ' 665' ' ' LYS . 1.3 p -47.02 -40.91 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.012 0.434 . . . . 0.0 110.157 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -49.54 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.727 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -17.72 51.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.286 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.54 40.79 53.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.408 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' GLY . . . . . 0.512 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.5 176.89 33.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.59 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.7 tp -100.36 158.68 15.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.808 0.337 . . . . 0.0 110.686 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.575 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.1 mm -127.68 121.25 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' VAL . . . . . 0.545 HG22 ' CE1' ' A' ' 613' ' ' TYR . 2.2 t -108.29 124.89 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.621 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -115.04 119.35 4.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.559 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 608' ' ' ASN . 38.5 mm -95.8 99.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.532 ' CB ' HD22 ' A' ' 545' ' ' LEU . 2.9 mp -77.64 -75.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' ARG . . . . . 0.52 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 1.0 OUTLIER -159.73 166.24 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.926 -178.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' CYS . . . . . 0.477 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 0.8 OUTLIER -122.0 161.31 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.847 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.27 145.14 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 67.74 45.54 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.403 179.409 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' LEU . . . . . 0.52 ' CD1' ' HG3' ' A' ' 578' ' ' PRO . 33.3 mt -85.38 146.14 27.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' ALA . . . . . 0.472 ' O ' ' OG ' ' A' ' 576' ' ' SER . . . -67.99 166.6 15.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -110.06 120.32 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.679 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' MET . . . . . 0.546 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -93.15 -18.9 22.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.355 -179.065 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -97.23 161.45 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.223 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -70.62 -8.46 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.01 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -82.33 -9.35 59.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.98 15.42 52.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.643 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.0 m-85 -126.46 -169.7 2.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.411 . . . . 0.0 111.816 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 568' ' ' ALA . 22.3 m -151.76 -179.71 7.68 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.911 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' ASP . . . . . 0.53 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 7.1 m-20 -130.79 59.22 44.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.39 0.614 . . . . 0.0 109.451 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' PRO . . . . . 0.521 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 38.2 Cg_endo -68.61 150.03 74.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.521 2.814 . . . . 0.0 115.5 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 19.7 p90 -147.09 160.88 41.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.687 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' VAL . . . . . 0.569 HG22 ' CE2' ' A' ' 607' ' ' PHE . 22.7 t -115.31 133.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.759 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' LYS . . . . . 0.578 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.2 OUTLIER -115.6 132.96 56.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.477 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' LEU . . . . . 0.536 HD12 ' CE1' ' A' ' 611' ' ' PHE . 0.0 OUTLIER -120.36 139.8 52.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 111.829 -178.651 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' TRP . . . . . 0.54 ' CZ2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.55 119.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.948 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' LEU . . . . . 0.605 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 21.5 tp -92.92 107.16 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' LYS . . . . . 0.54 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 1.7 mtpp . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.948 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' ALA . . . . . 0.442 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.756 0.313 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.532 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 9.2 mttp -75.67 151.7 37.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 593' ' ' LYS . 18.9 m-70 -145.18 176.95 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.78 119.68 2.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.104 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' THR . . . . . 0.51 HG22 ' HB ' ' A' ' 580' ' ' VAL . 5.2 p -78.48 161.83 26.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.895 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.7 155.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.791 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' ILE . . . . . 0.567 ' CG2' ' HB3' ' A' ' 632' ' ' TYR . 1.0 OUTLIER -87.0 126.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.631 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' LYS . . . . . 0.534 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -96.82 36.68 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.542 . . . . 0.0 110.289 179.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.569 ' HD3' ' CD1' ' A' ' 632' ' ' TYR . 3.8 mttp -28.7 140.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.156 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 600' ' ' LYS . 0.1 OUTLIER 68.34 58.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.091 179.092 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' THR . . . . . 0.559 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 6.3 t 178.88 148.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.017 0.437 . . . . 0.0 111.624 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 15.2 mt -116.18 -12.79 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.754 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.443 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -134.35 52.94 8.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.558 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 83.0 Cg_endo -79.25 176.84 9.28 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.031 2.487 . . . . 0.0 113.322 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' GLU . . . . . 0.52 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -128.58 115.36 17.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.12 179.235 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' A' ' 580' ' ' VAL . 73.3 m-85 -79.72 -49.32 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.452 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 49.42 50.17 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 110.02 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 5.2 mt-10 -109.24 136.22 49.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.192 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.1 111.45 22.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' PHE . . . . . 0.536 ' CE1' HD12 ' A' ' 582' ' ' LEU . 45.3 m-85 -95.51 174.1 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.628 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' PHE . . . . . 0.575 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.5 t80 -145.08 117.0 8.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' TYR . . . . . 0.605 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 4.6 m-85 -99.22 149.07 23.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.4 69.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' ILE . . . . . 0.577 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.9 OUTLIER -128.62 145.4 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 619' ' ' ASP . 1.2 mtpt -75.03 131.95 40.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . 0.576 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 46.9 t-80 -43.49 -49.52 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -15.02 8.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.306 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' ASP . . . . . 0.543 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 0.9 OUTLIER -105.54 -28.25 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.623 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . 0.577 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.76 -68.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.698 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' ALA . . . . . 0.545 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -37.26 -49.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.002 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -18.35 65.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.598 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' LYS . . . . . 0.529 ' CE ' HD12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -69.92 -174.89 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 0.0 111.403 -179.564 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' SER . . . . . 0.426 ' C ' HD13 ' A' ' 584' ' ' LEU . 25.9 p -160.05 104.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.614 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 646' ' ' LEU . 54.6 tp -79.97 118.85 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.884 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -104.66 96.99 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 3.4 mp -91.87 104.11 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' SER . . . . . 0.49 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 51.6 p -115.73 135.79 53.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.151 0.5 . . . . 0.0 111.815 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' VAL . . . . . 0.506 ' CG2' HD23 ' A' ' 675' ' ' LEU . 20.2 t -107.88 121.78 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' TRP . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 34.4 m95 -121.23 152.32 38.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.362 . . . . 0.0 111.37 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 639' ' ' ASP . 1.0 OUTLIER -86.58 135.77 33.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.027 179.04 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 600' ' ' LYS . 32.0 t80 -98.09 158.03 15.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.987 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 632' ' ' TYR . 74.1 m-20 -155.61 125.4 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.91 139.46 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.72 -7.49 49.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.608 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.41 -174.53 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 7.8 m -80.45 -178.35 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -93.67 -173.52 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.6 m-20 -147.26 149.32 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' TYR . . . . . 0.584 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -87.05 117.46 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' ILE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 9.2 mt -95.4 -42.64 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.679 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' GLY . . . . . 0.486 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 150.76 158.05 8.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.02 -160.79 10.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.778 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.9 154.76 18.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.756 0.312 . . . . 0.0 110.818 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.53 136.49 40.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' LEU . . . . . 0.534 ' CD1' ' NE2' ' A' ' 673' ' ' HIS . 10.5 mt -126.61 93.91 3.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.082 0.468 . . . . 0.0 111.475 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -142.67 142.2 11.35 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' ILE . . . . . 0.644 ' CD1' ' CD2' ' A' ' 659' ' ' TYR . 1.4 tt -55.35 -16.97 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 120.91 0.386 . . . . 0.0 111.49 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -80.14 4.02 18.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 109.957 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.212 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.325 -179.839 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' ARG . . . . . 0.461 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 1.2 mtm-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.785 0.326 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' LEU . . . . . 0.589 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 26.3 tp -57.83 -40.94 81.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 25.2 mttm -59.25 -43.67 92.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.979 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' HIS . . . . . 0.58 ' CD2' HG23 ' A' ' 669' ' ' ILE . 10.4 t-160 -73.86 -67.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.69 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 52.8 t-105 -43.92 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.54 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' TYR . . . . . 0.644 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.4 OUTLIER -36.12 -54.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.398 179.545 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' GLU . . . . . 0.481 ' HB3' HD13 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -38.47 -44.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 -179.369 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 557' ' ' LEU . 45.6 t -49.36 -37.17 23.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.472 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 659' ' ' TYR . 1.8 mp -68.11 -40.5 82.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . 0.469 ' HD3' ' OE1' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -79.49 -33.89 41.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.353 0.597 . . . . 0.0 109.662 179.614 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.477 ' OD1' ' CE ' ' A' ' 667' ' ' LYS . 9.8 m-80 -109.5 45.21 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.676 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' LYS . . . . . 0.576 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 3.9 mtmt -35.61 -92.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 0.5 OUTLIER -42.7 -27.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.086 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' LYS . . . . . 0.477 ' CE ' ' OD1' ' A' ' 664' ' ' ASN . 0.9 OUTLIER -79.9 150.04 30.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 2.4 mtpt -90.17 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.693 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' ILE . . . . . 0.58 HG23 ' CD2' ' A' ' 657' ' ' HIS . 1.1 mm -139.09 98.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 0.8 OUTLIER -102.85 133.27 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.424 -179.249 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' ARG . . . . . 0.493 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 1.5 mmm180 -153.56 162.08 41.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' TRP . . . . . 0.534 ' NE1' HD12 ' A' ' 545' ' ' LEU . 90.2 m95 -101.89 130.49 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' HIS . . . . . 0.534 ' NE2' ' CD1' ' A' ' 646' ' ' LEU . 33.1 m-70 -113.71 129.47 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.068 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.54 117.52 15.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.076 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.506 HD23 ' CG2' ' A' ' 629' ' ' VAL . 83.7 mt -63.87 128.9 37.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.208 0.527 . . . . 0.0 111.595 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -125.22 160.94 28.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.509 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.125 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.467 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 2.5 ptp180 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.726 0.298 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 112.27 177.6 19.93 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.616 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -131.3 147.63 52.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.628 0.251 . . . . 0.0 110.537 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -122.98 128.58 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.585 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.577 HD11 ' CG ' ' A' ' 672' ' ' TRP . 16.2 tp -79.84 116.1 19.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.729 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 670' ' ' GLU . 53.9 t -113.38 128.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 26.5 p -110.36 111.52 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.469 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 17.2 mt -92.52 166.65 12.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 111.59 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.524 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.4 tmm? 171.74 127.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.191 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.542 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 50.2 t80 -107.83 136.32 47.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.951 0.405 . . . . 0.0 111.449 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.9 84.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.869 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.574 ' CG2' ' CD ' ' A' ' 665' ' ' LYS . 1.1 p -51.22 -39.66 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -46.56 58.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.301 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 554' ' ' GLN . 7.4 mm-40 -85.45 -18.75 32.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.05 39.36 32.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.382 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.542 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -151.67 173.6 30.94 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 6.6 tp -99.95 161.42 13.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.746 0.308 . . . . 0.0 110.633 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.591 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.3 mm -130.16 120.85 50.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.938 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.516 HG22 ' CE1' ' A' ' 613' ' ' TYR . 3.1 t -108.43 125.35 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.412 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -116.84 109.38 1.91 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.076 -1.059 . . . . 0.0 113.649 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.529 ' CD1' HD23 ' A' ' 582' ' ' LEU . 42.1 mm -87.39 93.95 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.523 ' CG2' HD21 ' A' ' 545' ' ' LEU . 2.0 mp -70.87 -75.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.542 ' HG3' ' CH2' ' A' ' 672' ' ' TRP . 2.2 ptm180 -157.07 174.91 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.876 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.495 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 1.6 p -131.56 161.12 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.01 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.489 HG12 ' CH2' ' A' ' 672' ' ' TRP . 18.7 m -147.9 152.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 112.34 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.23 46.78 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.319 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.529 ' CD1' ' HG3' ' A' ' 578' ' ' PRO . 19.5 mt -84.14 154.68 22.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.452 ' O ' ' OG ' ' A' ' 576' ' ' SER . . . -73.29 164.35 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.495 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.492 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.78 120.75 43.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.661 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -93.33 -19.07 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.151 -179.066 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -98.68 160.16 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.88 -5.62 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.248 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.79 -11.54 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.642 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.97 14.44 52.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.55 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.0 m-85 -125.95 -169.93 2.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.844 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.474 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 13.7 m -155.01 177.68 11.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.496 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 4.5 m-20 -127.7 56.84 21.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.537 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 39.1 Cg_endo -68.85 141.4 48.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 123.502 2.802 . . . . 0.0 115.299 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 15.6 p90 -136.79 162.13 34.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.227 -1.351 . . . . 0.0 107.625 177.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.564 HG22 ' CE2' ' A' ' 607' ' ' PHE . 40.9 t -114.98 132.25 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.632 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 3.0 mtpm? -114.37 136.77 52.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.527 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 611' ' ' PHE . 0.0 OUTLIER -122.85 139.01 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 111.785 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.566 ' CE2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.84 117.34 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.032 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.61 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 9.2 tp -97.9 126.77 43.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.783 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.592 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -115.72 174.78 2.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.842 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.524 ' O ' ' CB ' ' A' ' 587' ' ' ASP . 53.1 Cg_exo -55.14 -21.33 1.03 Allowed 'Cis proline' 0 C--N 1.351 0.662 0 C-N-CA 123.592 -1.42 . . . . 0.0 112.076 -0.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.592 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 0.0 OUTLIER 88.13 167.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.644 178.612 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' MET . . . . . 0.418 ' N ' ' OD1' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -115.54 -18.2 10.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.519 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.49 ' N ' ' OD1' ' A' ' 587' ' ' ASP . . . -154.07 179.73 30.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.366 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -88.99 18.34 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -118.14 12.37 13.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.515 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . -69.73 -12.92 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.272 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.526 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 10.0 mttt -84.28 153.02 23.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 593' ' ' LYS . 17.7 m-70 -144.69 179.11 7.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.26 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.75 119.44 2.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.327 179.395 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.48 HG22 ' HB ' ' A' ' 580' ' ' VAL . 2.7 p -76.99 165.45 24.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -43.62 148.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.585 HG23 ' CG ' ' A' ' 632' ' ' TYR . 2.1 mm -80.19 122.73 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.493 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.526 ' HG2' ' CE1' ' A' ' 607' ' ' PHE . 2.7 mmpt? -93.25 71.23 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 4.8 mmtm -62.0 150.41 38.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.921 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.8 mmtt 41.59 66.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.855 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.55 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 4.6 t -179.44 143.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.204 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.488 ' CA ' ' HB2' ' A' ' 567' ' ' LEU . 13.0 mt -113.51 -12.38 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.83 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.412 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 1.1 m-80 -134.48 53.71 10.17 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.548 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 83.9 Cg_endo -81.22 -173.13 1.7 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.828 2.352 . . . . 0.0 113.021 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.523 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -135.31 115.98 13.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.365 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' A' ' 580' ' ' VAL . 80.4 m-85 -79.93 -60.07 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.158 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 562' ' ' ILE . 0.8 OUTLIER 59.9 45.48 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -107.1 131.05 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.016 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -105.71 114.73 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' A' ' 582' ' ' LEU . 55.8 m-85 -97.41 173.93 6.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.978 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.591 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.8 t80 -143.65 118.71 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.619 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.61 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.56 150.7 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.75 70.49 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.125 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.586 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.7 OUTLIER -131.48 143.21 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.653 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 619' ' ' ASP . 24.1 mmtp -72.2 131.39 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.564 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 30.4 t-80 -44.34 -42.79 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -23.34 63.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.99 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.533 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 4.6 m-20 -100.29 -29.08 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.586 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.82 -67.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.743 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.561 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -35.8 -59.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.933 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 619' ' ' ASP . 0.1 OUTLIER -61.29 -16.04 41.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.643 -179.055 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.528 ' N ' ' O ' ' A' ' 620' ' ' LEU . 8.7 mmpt? -64.88 172.97 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.073 0.463 . . . . 0.0 111.217 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.8 p -150.54 100.78 2.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.244 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 646' ' ' LEU . 39.7 tp -79.76 121.71 25.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -104.2 95.27 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 4.2 mp -90.72 106.84 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.49 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 5.0 m -118.59 139.74 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.118 0.485 . . . . 0.0 111.73 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.535 ' CG2' HD23 ' A' ' 675' ' ' LEU . 26.0 t -109.48 122.01 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.453 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 37.9 m95 -120.48 151.68 39.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 639' ' ' ASP . 0.6 OUTLIER -86.06 137.01 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.291 179.295 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.585 ' CG ' HG23 ' A' ' 598' ' ' ILE . 22.3 t80 -99.29 160.36 14.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.969 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 38.8 m-20 -155.32 127.78 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.55 134.58 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.987 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.48 2.76 51.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -163.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.26 167.73 10.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -80.17 -172.83 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 631' ' ' ASP . 37.5 m-20 -153.48 152.36 30.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.74 119.72 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.02 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 34.4 mt -100.71 -44.51 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.412 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 159.15 160.28 10.28 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.65 -162.52 13.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.587 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.59 165.04 26.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -112.29 137.09 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.581 HD23 ' CE1' ' A' ' 673' ' ' HIS . 10.2 mt -128.04 96.95 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.061 0.458 . . . . 0.0 111.81 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -144.81 138.81 8.03 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.642 ' CD1' ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -53.04 -18.45 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 117.036 0.418 . . . . 0.0 111.366 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 18.8 t -71.68 -6.69 42.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -81.27 167.14 19.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.261 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.72 133.83 17.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.681 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . 0.427 ' C ' ' HG3' ' A' ' 653' ' ' GLU . . . 126.86 -59.51 0.67 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.927 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 28.0 mt-10 -150.38 -52.62 0.14 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.528 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 1.8 mtm180 -50.49 -33.6 21.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.632 0.253 . . . . 0.0 111.4 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.579 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 26.9 tp -65.38 -36.01 82.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 1.3 pttp -63.69 -50.66 68.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.583 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 13.1 t-80 -69.71 -52.37 26.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.476 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.597 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.3 t-105 -60.05 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.113 0.482 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.642 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.6 OUTLIER -31.82 -59.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.923 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 656' ' ' LYS . 5.7 pt-20 -43.67 -38.28 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.181 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.511 ' N ' ' O ' ' A' ' 658' ' ' TRP . 23.2 t -51.59 -39.79 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 109.767 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.516 HD23 ' CB ' ' A' ' 621' ' ' ALA . 0.7 OUTLIER -62.33 -33.95 75.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 179.339 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -41.43 23.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.839 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.446 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 5.3 m120 -100.17 60.52 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.581 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.574 ' CD ' ' CG2' ' A' ' 552' ' ' THR . 1.9 mttt -53.4 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.331 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -18.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.394 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.1 OUTLIER -89.06 137.04 32.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.729 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.462 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 2.4 mtpt -79.65 123.15 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.581 HG21 ' CD2' ' A' ' 657' ' ' HIS . 1.1 mm -112.08 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.651 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 6.0 pm0 -112.98 154.57 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.08 0.467 . . . . 0.0 111.636 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.583 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -174.03 161.31 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.577 ' CG ' HD11 ' A' ' 545' ' ' LEU . 91.9 m95 -89.32 129.23 35.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.254 0.549 . . . . 0.0 112.227 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.581 ' CE1' HD23 ' A' ' 646' ' ' LEU . 26.8 m-70 -108.75 138.4 45.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.198 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -83.32 122.33 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.376 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.535 HD23 ' CG2' ' A' ' 629' ' ' VAL . 84.0 mt -67.39 137.16 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.083 0.468 . . . . 0.0 111.562 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -128.07 160.91 30.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -102.22 118.09 36.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -100.37 -74.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.21 92.8 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.916 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 2.0 mtt180 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.803 0.335 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 109.13 -178.16 20.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.538 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.412 ' HG3' ' C ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER -138.51 145.33 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.1 OUTLIER -120.2 128.96 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 111.625 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.584 HD11 ' CG ' ' A' ' 672' ' ' TRP . 18.3 tp -79.61 121.68 25.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 88.5 t -115.04 132.23 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.503 ' N ' HD13 ' A' ' 562' ' ' ILE . 44.7 p -113.81 103.79 11.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 669' ' ' ILE . 13.9 mt -91.09 164.11 14.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 111.808 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.527 ' CG ' ' HA ' ' A' ' 668' ' ' LYS . 0.9 OUTLIER 174.36 128.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 665' ' ' LYS . 59.2 t80 -103.71 134.18 47.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.903 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' SER . . . . . 0.455 ' HB2' ' HG3' ' A' ' 554' ' ' GLN . 4.4 p -100.23 92.93 5.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.034 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.2 p -65.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 109.787 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.81 -43.18 69.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.945 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.455 ' HG3' ' HB2' ' A' ' 551' ' ' SER . 0.1 OUTLIER -90.83 -19.55 23.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.226 179.351 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 551' ' ' SER . . . 78.02 38.78 25.65 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.442 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -150.5 168.92 30.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.906 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.519 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 5.8 tp -94.51 154.91 17.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 0.0 110.498 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.561 ' CD1' ' CD1' ' A' ' 612' ' ' PHE . 1.6 mm -127.89 123.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.98 0.419 . . . . 0.0 110.901 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.517 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 3.0 t -113.43 120.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.646 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.458 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -112.06 119.9 5.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.539 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 608' ' ' ASN . 38.8 mm -95.53 97.74 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 607' ' ' PHE . 2.4 mp -73.28 -73.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -160.98 178.84 8.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.184 0.516 . . . . 0.0 111.921 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 7.0 p -135.0 159.5 41.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.829 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.448 HG12 ' CH2' ' A' ' 672' ' ' TRP . 28.2 m -142.09 147.83 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 53.05 54.71 9.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.399 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.535 HD11 ' CB ' ' A' ' 578' ' ' PRO . 11.1 mt -83.5 161.9 21.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.2 150.29 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.496 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -118.5 109.45 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.534 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 2.8 mtm -90.7 -20.08 22.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.41 158.31 36.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.651 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.96 0.78 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.407 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.56 -4.89 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 88.06 6.56 75.14 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.169 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.513 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -124.64 -169.15 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.003 0.43 . . . . 0.0 111.815 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.471 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.7 OUTLIER -155.95 171.45 20.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.47 ' HA ' ' O ' ' A' ' 599' ' ' LYS . 2.1 m-20 -117.52 58.32 2.48 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 109.381 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.535 ' CB ' HD11 ' A' ' 567' ' ' LEU . 33.4 Cg_endo -65.58 139.59 59.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 123.4 2.733 . . . . 0.0 114.964 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.9 p90 -139.33 161.37 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.315 -1.311 . . . . 0.0 107.701 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.523 ' CG1' HG21 ' A' ' 627' ' ' ILE . 22.0 t -114.41 130.31 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 119.837 -0.745 . . . . 0.0 112.737 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.569 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.95 133.94 55.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.303 178.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.472 HD12 ' CE1' ' A' ' 611' ' ' PHE . 0.1 OUTLIER -121.79 139.79 53.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.005 0.431 . . . . 0.0 111.826 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.559 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.6 t90 -148.91 117.51 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.626 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.1 tp -94.01 115.12 27.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 586' ' ' PRO . 3.0 pttt -94.57 164.71 19.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.526 ' O ' ' C ' ' A' ' 587' ' ' ASP . 1.0 OUTLIER -84.24 107.99 1.12 Allowed 'Cis proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.659 -1.392 . . . . 0.0 111.941 -0.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.526 ' C ' ' O ' ' A' ' 586' ' ' PRO . 1.0 OUTLIER -5.02 105.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.354 1.034 . . . . 0.0 112.58 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 -35.31 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.569 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -125.34 -6.5 6.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.257 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.3 OUTLIER 87.2 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 593' ' ' LYS . 5.6 pttp -75.04 -5.56 44.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.088 0.471 . . . . 0.0 110.772 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.04 -26.51 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.559 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.2 OUTLIER -64.4 160.37 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.1 m-70 -160.32 170.64 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.232 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.56 119.01 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.212 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.481 HG22 ' HB ' ' A' ' 580' ' ' VAL . 3.4 p -79.28 161.07 26.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -40.82 144.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.691 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.569 HG23 ' CG ' ' A' ' 632' ' ' TYR . 3.6 mm -77.9 126.8 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.363 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.532 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 11.6 mmpt? -92.49 72.6 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.26 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.552 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 35.2 mmtm -51.28 143.72 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.028 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 31.66 76.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.028 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.544 HG22 ' CG ' ' A' ' 605' ' ' PRO . 2.8 t -179.0 144.56 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.769 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 567' ' ' LEU . 15.5 mt -119.22 -12.29 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.557 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.2 OUTLIER -129.3 45.79 1.92 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.561 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 73.5 Cg_endo -74.64 -174.51 1.89 Allowed 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.966 2.444 . . . . 0.0 112.957 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.4 OUTLIER -132.81 115.84 15.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.28 179.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 562' ' ' ILE . 71.9 m-85 -80.93 -56.01 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' ILE . 5.2 t-20 49.63 46.74 23.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.256 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.446 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 9.5 mm-40 -107.74 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.78 114.28 27.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.784 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 42.4 m-85 -96.7 175.55 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.136 0.493 . . . . 0.0 111.721 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.561 ' CD1' ' CD1' ' A' ' 558' ' ' ILE . 3.9 t80 -147.27 118.25 7.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.721 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.626 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.16 148.24 24.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.691 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.75 69.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.989 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.575 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.8 OUTLIER -134.28 145.1 33.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.5 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -74.48 144.68 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.433 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.523 ' NE2' ' HD3' ' A' ' 665' ' ' LYS . 57.6 t-80 -53.71 -44.67 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -18.71 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.525 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 4.4 m-20 -101.48 -31.22 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.742 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.575 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -33.29 -68.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.889 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.557 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -37.55 -54.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.025 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -16.9 55.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.082 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.542 ' CE ' HD12 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -72.86 164.12 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.292 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' SER . . . . . 0.42 ' HB2' ' HE3' ' A' ' 585' ' ' LYS . 0.0 OUTLIER -145.21 103.39 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.911 179.327 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.43 ' N ' HD11 ' A' ' 584' ' ' LEU . 28.5 tp -79.07 154.68 29.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.801 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 4.2 t0 -132.19 96.29 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.523 HG21 ' CG1' ' A' ' 580' ' ' VAL . 1.9 mp -92.34 92.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.224 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.482 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.2 m -109.16 136.71 48.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.54 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.465 ' CG2' HD23 ' A' ' 675' ' ' LEU . 15.3 t -103.75 124.86 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.32 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 67.8 m95 -121.07 146.57 46.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.232 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.534 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.0 OUTLIER -86.27 118.43 25.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.045 0.45 . . . . 0.0 110.452 179.565 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.569 ' CG ' HG23 ' A' ' 598' ' ' ILE . 52.6 t80 -79.97 161.51 25.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.471 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.6 OUTLIER -160.11 119.02 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.052 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.41 133.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 80.57 -11.48 39.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.801 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -130.67 -176.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.1 m -80.0 -176.18 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.805 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.61 178.73 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.465 ' HB3' ' SD ' ' A' ' 570' ' ' MET . 37.9 m-20 -139.96 149.51 43.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -93.12 115.92 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.906 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 40.0 mt -96.24 -39.42 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.478 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 149.51 164.0 11.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.307 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -167.94 -163.04 21.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.739 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . 0.451 ' SG ' ' O ' ' A' ' 674' ' ' GLN . 5.5 m -165.69 142.71 5.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.43 137.43 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.511 HD13 ' NE2' ' A' ' 673' ' ' HIS . 8.2 mt -120.24 96.74 5.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 111.362 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -145.99 146.11 15.87 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.57 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.625 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.0 OUTLIER -59.19 -13.3 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 120.815 0.341 . . . . 0.0 111.667 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -87.09 13.49 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.462 . . . . 0.0 109.949 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -94.42 171.84 8.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.476 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -149.05 135.2 19.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.615 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 126.98 -58.07 0.7 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.789 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.497 ' HG2' ' N ' ' A' ' 654' ' ' ARG . 0.5 OUTLIER -163.65 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.635 0.218 . . . . 0.0 111.581 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.497 ' N ' ' HG2' ' A' ' 653' ' ' GLU . 4.0 mtm180 -51.21 -38.6 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.573 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 30.2 tp -57.55 -37.01 72.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.557 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 9.1 pttt -62.85 -55.52 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.647 ' CD2' ' CG ' ' A' ' 671' ' ' ARG . 4.7 t-160 -59.57 -56.7 18.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -59.63 -80.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.083 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.591 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.8 OUTLIER -38.65 -64.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.286 -179.579 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.549 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.9 pt-20 -45.14 -30.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.256 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 11.5 t -61.84 -39.36 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.5 OUTLIER -59.49 -31.69 69.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.132 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.474 ' CG ' ' OD1' ' A' ' 664' ' ' ASN . 0.7 OUTLIER -78.01 -41.63 35.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.779 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.544 ' HB3' ' CG ' ' A' ' 667' ' ' LYS . 33.5 m-20 -107.78 66.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.702 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.523 ' HD3' ' NE2' ' A' ' 617' ' ' HIS . 0.4 OUTLIER -67.69 -73.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -33.32 -31.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.67 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.544 ' CG ' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -108.27 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.704 0.287 . . . . 0.0 110.428 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.527 ' HA ' ' CG ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.81 175.75 10.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.456 0.646 . . . . 0.0 112.148 -178.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.62 ' CG2' ' CD2' ' A' ' 657' ' ' HIS . 0.9 OUTLIER -145.29 118.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.784 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.494 ' CG ' ' HB3' ' A' ' 547' ' ' SER . 5.2 mt-10 -114.4 130.95 56.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.148 0.499 . . . . 0.0 112.184 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.647 ' CG ' ' CD2' ' A' ' 657' ' ' HIS . 4.1 mmt180 -153.99 163.99 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.972 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.584 ' CG ' HD11 ' A' ' 545' ' ' LEU . 80.5 m95 -103.11 132.33 49.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.511 ' NE2' HD13 ' A' ' 646' ' ' LEU . 32.0 m-70 -115.47 129.32 56.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.515 ' OE1' ' CG ' ' A' ' 676' ' ' GLN . 0.0 OUTLIER -76.83 122.04 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.964 0.411 . . . . 0.0 110.342 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.478 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 90.8 mt -64.77 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.212 0.529 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.515 ' CG ' ' OE1' ' A' ' 674' ' ' GLN . 67.7 mt-30 -125.1 162.6 24.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -105.82 105.24 15.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.817 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -118.17 -62.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . 0.439 ' O ' ' CE2' ' A' ' 640' ' ' TYR . 9.5 t-20 -79.98 81.57 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.015 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 5.0 t60 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.902 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.793 0.33 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -118.54 -145.58 7.81 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.674 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.523 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 1.6 mtmm -132.49 158.19 42.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.48 HG13 HG23 ' A' ' 580' ' ' VAL . 0.0 OUTLIER -134.98 124.3 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.019 0.438 . . . . 0.0 111.653 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.574 HD11 ' CD2' ' A' ' 672' ' ' TRP . 16.2 tp -79.7 120.58 24.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.449 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 74.6 t -118.31 137.22 52.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.529 ' CB ' ' HG3' ' A' ' 670' ' ' GLU . 2.1 p -112.89 120.01 39.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.51 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 14.8 mt -100.64 158.04 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 0.0 111.448 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.517 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.2 OUTLIER 175.67 125.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.457 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 41.2 t80 -104.34 131.06 52.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 111.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.09 77.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.1 p -44.04 -35.41 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.434 . . . . 0.0 110.263 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.2 tp60 -54.31 -56.61 16.82 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.508 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 1.8 mm-40 -73.71 -15.34 61.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.367 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.78 58.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -160.09 165.15 34.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.729 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.527 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 14.3 tp -89.06 158.91 17.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.664 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.572 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -126.45 124.51 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.922 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.517 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.2 t -114.19 123.16 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.7 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.97 115.45 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.323 -0.942 . . . . 0.0 113.407 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.531 HG13 ' CG2' ' A' ' 596' ' ' THR . 43.4 mm -92.09 94.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 607' ' ' PHE . 1.9 mp -72.84 -75.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.499 ' CB ' ' HG2' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -156.19 177.77 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 112.073 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 6.8 p -135.79 159.29 42.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.726 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 543' ' ' LYS . 32.8 m -147.68 145.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 112.42 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.9 t60 67.56 38.88 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.298 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' ' 578' ' ' PRO . 9.6 mt -76.51 156.05 33.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.331 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -77.17 166.49 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.949 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.501 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -120.84 119.58 33.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.491 ' N ' ' OG ' ' A' ' 576' ' ' SER . 9.3 mmt -90.97 -23.68 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.619 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -79.59 168.29 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.048 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -81.52 -10.58 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -81.25 -9.42 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.82 8.97 58.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.535 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -119.95 -168.7 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 111.726 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.51 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 0.9 OUTLIER -158.54 176.52 12.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.372 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.519 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.8 m-20 -122.2 57.31 8.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.539 ' CB ' HD11 ' A' ' 567' ' ' LEU . 37.3 Cg_endo -67.38 141.56 56.7 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 123.392 2.728 . . . . 0.0 115.327 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 11.4 p90 -139.89 162.57 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.119 -1.4 . . . . 0.0 107.545 177.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.527 ' CG1' HG21 ' A' ' 627' ' ' ILE . 21.6 t -114.47 137.38 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.661 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.598 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.5 mttp -116.99 132.39 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.772 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.47 HD23 HD12 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.81 134.99 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 111.431 -179.282 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.563 ' CD1' ' HB2' ' A' ' 592' ' ' ALA . 3.3 t90 -145.75 118.46 8.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.592 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 21.8 tp -91.18 108.11 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 0.1 OUTLIER -81.72 156.87 70.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.925 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 587' ' ' ASP . 86.8 Cg_endo -94.07 105.64 0.4 Allowed 'Cis proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.481 -1.466 . . . . 0.0 112.547 0.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER 5.94 111.28 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.417 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' MET . . . . . 0.517 ' HG2' ' N ' ' A' ' 589' ' ' GLY . 0.2 OUTLIER -91.7 -35.78 13.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -135.31 1.96 3.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.591 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER 87.67 -25.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.659 0.266 . . . . 0.0 110.933 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -84.12 2.52 39.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.563 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . -52.88 -25.17 10.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.163 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.477 ' HD3' ' HB2' ' A' ' 583' ' ' TRP . 13.2 mmtp -66.38 153.27 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.532 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 3.7 m-70 -153.66 169.96 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 111.469 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.34 127.14 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.254 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.531 ' CG2' HG13 ' A' ' 561' ' ' ILE . 1.4 p -86.8 164.76 16.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.387 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.515 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 2.7 pt20 -44.65 147.19 0.64 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.097 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.565 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.9 mm -80.26 132.36 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.935 0.398 . . . . 0.0 111.561 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.526 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -99.97 75.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.997 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.461 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 20.3 mmtp -55.22 145.64 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.085 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.426 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.9 OUTLIER 34.73 75.72 0.05 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.956 179.379 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.567 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 3.3 t 179.01 143.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.51 ' CD2' ' HB2' ' A' ' 576' ' ' SER . 10.4 mt -117.79 -11.76 10.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 13.8 m-80 -131.36 47.76 3.13 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.479 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.553 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 72.0 Cg_endo -75.96 -170.66 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.082 2.521 . . . . 0.0 113.424 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.499 ' HG2' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -137.0 113.75 10.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.177 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 562' ' ' ILE . 68.4 m-85 -79.9 -58.26 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.195 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 1.5 t-20 55.53 46.4 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.342 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.43 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 13.3 mm-40 -106.61 136.57 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -107.8 115.26 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.532 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 28.7 m-85 -98.44 176.72 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.229 0.537 . . . . 0.0 112.071 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 558' ' ' ILE . 8.3 t80 -150.86 121.94 7.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.331 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.592 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.67 151.91 21.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 65.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.587 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.8 OUTLIER -128.64 143.41 41.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -73.26 132.18 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.512 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 52.3 t-80 -45.13 -47.23 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.025 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 37.7 t -57.58 -15.71 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.527 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 5.7 m-20 -105.93 -28.85 10.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.727 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.587 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.35 -67.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.559 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -35.84 -49.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.869 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -22.61 65.98 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.875 0.369 . . . . 0.0 111.579 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 620' ' ' LEU . 5.8 mmpt? -69.77 173.88 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.143 0.497 . . . . 0.0 111.364 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 91.0 p -146.73 105.12 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 646' ' ' LEU . 40.6 tp -79.51 114.18 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.058 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -104.49 100.65 10.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.527 HG21 ' CG1' ' A' ' 580' ' ' VAL . 2.3 mp -92.04 109.56 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.471 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 85.1 p -115.04 153.43 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.538 ' CG2' HD23 ' A' ' 675' ' ' LEU . 25.3 t -127.02 125.41 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.76 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.598 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 35.3 m95 -120.47 143.06 48.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.091 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.491 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -84.39 106.88 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 0.0 110.352 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 39.7 t80 -59.52 165.6 2.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.105 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 36.9 m-20 -158.77 119.03 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -78.46 137.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 61.78 15.43 48.16 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 634' ' ' ILE . 0.0 OUTLIER -155.5 -179.01 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.4 OUTLIER -80.95 155.73 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 1.1 m-80 -77.87 -162.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.475 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 28.2 m-20 -159.39 141.15 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.8 OUTLIER -82.99 115.7 21.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 60.6 mt -91.09 -40.5 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' A' ' 676' ' ' GLN . . . 154.33 169.23 18.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.696 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 676' ' ' GLN . . . -166.15 -179.81 39.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.26 158.88 43.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.471 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 7.6 pt20 -109.29 146.72 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.72 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.562 HD23 ' CE1' ' A' ' 673' ' ' HIS . 25.4 mt -137.47 91.63 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.9 145.17 17.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.871 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.601 HD12 ' CE2' ' A' ' 659' ' ' TYR . 1.5 tt -59.53 -13.04 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 120.818 0.342 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.7 t -86.07 12.38 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.222 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -95.71 -165.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 5.9 mmtt -150.47 132.01 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 100.98 -115.89 5.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.641 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.12 -48.45 9.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 0.0 110.999 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 646' ' ' LEU . 0.0 OUTLIER -43.57 -31.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.574 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 14.9 tp -90.17 -47.56 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.8 mttt -47.41 -66.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.321 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.64 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 14.2 t-160 -55.84 -52.98 62.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -61.15 -77.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.352 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.601 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -46.04 -64.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.271 -179.273 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.556 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.7 pt-20 -43.62 -31.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 12.7 t -63.18 -42.06 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.3 OUTLIER -54.0 -30.6 47.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.796 178.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.22 -40.38 23.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.691 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.512 ' OD1' ' CD ' ' A' ' 667' ' ' LYS . 15.9 m-20 -100.11 68.82 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.55 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.512 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.6 OUTLIER -58.57 -79.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.454 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.13 -21.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.911 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.512 ' CD ' ' OD1' ' A' ' 664' ' ' ASN . 0.3 OUTLIER -97.79 131.34 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 0.0 110.791 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.506 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -80.37 163.23 24.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.494 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.64 ' CG2' ' CD2' ' A' ' 657' ' ' HIS . 1.0 OUTLIER -137.98 117.67 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.696 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.529 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 13.6 mp0 -108.39 131.71 54.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.391 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.426 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 0.2 OUTLIER -152.09 161.52 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.468 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.574 ' CD2' HD11 ' A' ' 545' ' ' LEU . 81.5 m95 -103.14 134.16 47.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.743 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.562 ' CE1' HD23 ' A' ' 646' ' ' LEU . 90.7 m-70 -120.43 129.36 53.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.523 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 68.0 mt-30 -75.84 120.18 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.538 HD23 ' CG2' ' A' ' 629' ' ' VAL . 97.7 mt -55.04 127.8 30.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.519 . . . . 0.0 111.527 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.526 ' HG3' ' N ' ' A' ' 677' ' ' ASN . 1.8 pt20 -106.79 -179.47 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.031 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.526 ' N ' ' HG3' ' A' ' 676' ' ' GLN . 3.3 m-20 -121.34 114.85 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . 0.566 ' CG ' ' N ' ' A' ' 679' ' ' ASN . 0.1 OUTLIER -90.19 -79.44 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.906 -179.77 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . 0.566 ' N ' ' CG ' ' A' ' 678' ' ' GLU . 1.6 t-20 -133.88 -169.49 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.97 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 13.8 m80 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.956 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.775 0.321 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 110.77 178.4 20.56 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.574 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 139.05 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.701 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.484 HD11 HG22 ' A' ' 544' ' ' ILE . 0.0 OUTLIER -117.79 124.53 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.453 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.586 HD11 ' CG ' ' A' ' 672' ' ' TRP . 15.9 tp -79.64 122.52 26.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.641 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.445 HG23 HG22 ' A' ' 627' ' ' ILE . 52.7 t -120.96 137.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 560' ' ' GLY . 1.1 p -114.2 114.32 25.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.311 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 669' ' ' ILE . 7.0 mt -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.043 0.449 . . . . 0.0 111.348 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 558' ' ' ILE . 3.4 tmm? -179.53 136.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.7 t80 -112.31 132.45 54.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.975 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.65 87.41 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.496 ' CG2' ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -54.7 -38.5 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.051 0.453 . . . . 0.0 110.129 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.489 ' NE2' ' OG1' ' A' ' 552' ' ' THR . 0.0 OUTLIER -47.44 -45.45 25.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.953 179.321 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -90.83 -19.63 23.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.527 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 77.97 38.34 26.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.529 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -147.65 171.03 28.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.632 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.505 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.2 tp -96.26 161.48 13.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 110.697 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.3 mm -131.35 132.06 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.205 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.8 t -121.22 121.3 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.623 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.14 114.07 3.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.447 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.529 HG13 ' CG2' ' A' ' 596' ' ' THR . 28.0 mm -93.32 97.1 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.526 ' CD1' ' HG ' ' A' ' 545' ' ' LEU . 1.9 mp -75.81 -75.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.8 OUTLIER -160.62 173.29 15.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 112.007 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.481 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.0 OUTLIER -128.52 160.95 30.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.802 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 30.6 m -147.27 145.69 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.313 0.578 . . . . 0.0 112.548 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.533 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.28 51.37 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.675 179.199 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.479 HD11 ' HG3' ' A' ' 578' ' ' PRO . 35.3 mt -89.13 142.1 27.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.815 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -71.29 152.98 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.368 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 575' ' ' TYR . . . -112.27 108.73 18.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.532 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 3.1 mtm -85.53 -24.76 27.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.921 0.391 . . . . 0.0 110.988 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.3 156.12 35.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -75.11 1.46 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.28 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -91.9 -9.28 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.836 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.483 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.19 -0.76 64.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.248 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.519 ' N ' ' HB2' ' A' ' 569' ' ' ALA . 2.8 m-85 -123.26 -169.36 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.979 0.419 . . . . 0.0 111.823 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.477 ' N ' HD22 ' A' ' 603' ' ' LEU . 0.4 OUTLIER -149.55 170.38 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.971 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.535 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 45.0 m-20 -115.9 64.25 2.4 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.504 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 37.1 Cg_endo -67.21 135.66 37.84 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 123.088 2.525 . . . . 0.0 115.681 -177.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 35.3 p90 -144.36 161.01 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.156 176.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 595' ' ' LYS . 42.5 t -117.03 136.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 119.707 -0.797 . . . . 0.0 113.121 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HG3' ' CD1' ' A' ' 630' ' ' TRP . 6.3 mttt -115.96 133.25 56.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.5 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.524 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.7 135.46 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.814 0.34 . . . . 0.0 111.405 -179.44 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.582 ' CE3' ' HE3' ' A' ' 593' ' ' LYS . 5.6 t90 -144.44 121.26 11.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.995 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.3 tp -96.89 109.48 22.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.2 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.5 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER -91.26 159.93 38.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.393 179.706 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.5 ' HA ' ' HB3' ' A' ' 585' ' ' LYS . 5.7 Cg_exo -80.21 109.58 1.56 Allowed 'Cis proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.963 -1.266 . . . . 0.0 111.929 0.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.483 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 5.4 p-10 -24.34 107.49 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.711 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 2.2 ptp -79.43 -25.32 42.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.138 0.494 . . . . 0.0 110.254 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -137.37 -137.42 3.61 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.94 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -129.36 8.94 5.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.817 0.341 . . . . 0.0 110.587 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -116.47 10.25 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.478 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -67.31 -17.62 64.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.582 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 7.9 mmtm -83.65 157.98 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.76 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.3 m-70 -153.99 170.82 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 111.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.16 119.78 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.426 179.483 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.529 ' CG2' HG13 ' A' ' 561' ' ' ILE . 8.1 p -74.03 164.24 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.796 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -49.19 140.5 9.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.426 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.571 HG23 ' CG ' ' A' ' 632' ' ' TYR . 3.0 mm -81.18 119.52 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.525 ' HG2' ' CB ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -99.28 60.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.057 0.456 . . . . 0.0 110.261 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.1 OUTLIER -48.88 138.23 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -179.434 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 68.81 63.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.115 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.534 HG22 ' CG ' ' A' ' 605' ' ' PRO . 5.1 t 178.71 149.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 576' ' ' SER . 19.6 mt -119.63 -13.21 9.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -133.79 52.19 7.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.534 ' CG ' HG22 ' A' ' 602' ' ' THR . 96.1 Cg_endo -78.32 179.84 6.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 123.002 2.468 . . . . 0.0 112.961 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 25.3 tt0 -128.24 118.88 24.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.396 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 562' ' ' ILE . 51.8 m-85 -87.03 -61.37 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 561' ' ' ILE . 2.1 t-20 56.4 45.97 21.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.255 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.525 ' OE1' ' CG2' ' A' ' 558' ' ' ILE . 0.2 OUTLIER -103.41 121.53 42.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.437 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.541 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 30.1 m-85 -102.61 178.46 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.008 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.6 t80 -150.73 121.89 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.461 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.3 m-85 -101.7 154.18 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.533 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -109.08 65.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.583 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.9 OUTLIER -131.57 139.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.735 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 619' ' ' ASP . 1.1 mttt -72.21 131.27 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.456 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.0 t-80 -41.51 -51.71 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.0 m -52.24 -19.42 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.521 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 61.4 m-20 -102.43 -30.36 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.716 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.583 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.3 -66.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.646 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.553 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -39.91 -48.18 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.478 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.95 -17.31 64.58 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.186 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 584' ' ' LEU . 9.0 mmpt? -74.0 -177.33 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.374 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.14 102.99 1.45 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.982 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.448 HD23 HG12 ' A' ' 559' ' ' VAL . 18.8 tp -79.39 138.15 37.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.129 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.59 95.56 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.445 HG22 HG23 ' A' ' 546' ' ' VAL . 1.4 mp -90.69 104.31 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.466 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.0 m -117.96 143.56 46.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.796 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 579' ' ' PHE . 14.9 t -111.92 136.54 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.286 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.595 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 47.9 m95 -128.51 148.62 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.312 . . . . 0.0 111.832 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.532 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.8 OUTLIER -87.83 93.99 9.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.118 0.485 . . . . 0.0 109.868 178.381 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.642 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 26.7 t80 -53.23 162.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.5 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -159.3 124.37 4.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.71 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.72 138.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.99 -13.94 41.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.669 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 -166.71 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.021 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -79.64 173.15 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -89.66 -161.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 631' ' ' ASP . 16.3 m-20 -156.05 142.84 18.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.561 ' HA ' ' CE3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -87.06 114.57 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.431 HG12 ' CE ' ' A' ' 570' ' ' MET . 31.1 mt -91.02 -37.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.484 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 147.27 166.94 12.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 676' ' ' GLN . . . -165.17 -164.0 19.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.608 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 4.8 p -160.59 143.29 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.471 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 51.9 mt-30 -91.81 148.61 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.457 HD22 ' O ' ' A' ' 645' ' ' GLN . 15.3 mt -137.5 84.7 2.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.192 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -128.88 145.47 16.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.63 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.598 ' HA ' ' CD1' ' A' ' 655' ' ' LEU . 1.3 tt -62.57 -10.88 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.0 111.437 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.8 t -92.51 16.5 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.913 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -94.24 -171.29 2.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.292 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -157.36 132.37 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.761 179.737 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 118.3 -85.6 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.563 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.61 -36.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.056 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.6 mtt-85 -49.3 -38.97 29.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.598 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 11.5 tp -73.12 -45.85 54.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 8.1 mttm -49.86 -62.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.476 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 10.9 t-160 -59.32 -52.96 63.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 59.8 t-105 -59.24 -78.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.264 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.59 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.11 -61.37 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.914 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.535 ' CG ' ' O ' ' A' ' 656' ' ' LYS . 12.8 pt-20 -41.98 -34.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 40.8 t -58.39 -41.53 85.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.167 0.508 . . . . 0.0 109.732 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.529 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.5 OUTLIER -58.12 -32.05 67.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.069 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.41 -42.64 20.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 80.3 m-20 -101.15 66.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.468 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.555 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 15.8 mttt -65.46 -73.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.375 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -20.6 0.55 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.615 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -97.5 136.24 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.471 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.4 OUTLIER -79.99 142.76 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.4 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.53 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -111.18 158.12 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.341 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 11.8 mt-10 -159.34 125.25 4.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.427 ' HG2' ' C ' ' A' ' 670' ' ' GLU . 6.1 mmm180 -153.19 165.44 35.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.625 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.586 ' CG ' HD11 ' A' ' 545' ' ' LEU . 80.3 m95 -104.56 132.67 50.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.667 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.428 ' NE2' HD13 ' A' ' 646' ' ' LEU . 54.5 m-70 -116.73 129.56 56.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -76.88 105.08 7.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.254 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.484 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 92.4 mt -40.92 128.17 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.1 mt-30 -125.37 159.8 30.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.475 ' ND2' ' OD1' ' A' ' 679' ' ' ASN . 5.2 t-20 -91.96 129.29 37.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.8 -43.84 62.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . 0.475 ' OD1' ' ND2' ' A' ' 677' ' ' ASN . 13.6 p30 -87.03 177.06 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 566' ' ' HIS . 60.4 mtm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.772 0.32 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -130.67 -168.05 12.15 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.914 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.27 145.33 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.473 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -119.23 128.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.037 0.446 . . . . 0.0 111.825 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.528 HD12 ' NE1' ' A' ' 672' ' ' TRP . 17.8 tp -79.65 112.39 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 54.1 t -111.33 130.12 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.082 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 1.3 p -114.57 111.87 22.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.624 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 669' ' ' ILE . 41.6 mt -94.37 164.76 12.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.1 0.476 . . . . 0.0 111.256 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.2 ttt 176.51 123.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.576 ' CE1' ' HG ' ' A' ' 620' ' ' LEU . 50.1 t80 -102.45 130.35 49.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.026 0.441 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.61 82.78 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.62 -33.48 22.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.51 . . . . 0.0 109.907 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -52.38 -49.77 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.664 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -85.54 -15.56 42.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.983 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 73.79 40.4 45.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.396 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.53 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -152.02 173.85 31.14 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.435 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.6 tp -98.33 160.82 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -131.95 119.72 41.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.1 t -106.65 120.69 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -110.56 117.4 4.64 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.369 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.529 HD12 ' CD2' ' A' ' 582' ' ' LEU . 10.4 mm -96.57 95.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 607' ' ' PHE . 1.9 mp -73.13 -71.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.6 OUTLIER -160.49 176.56 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 112.008 -179.066 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 4.6 p -133.54 159.79 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.812 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.42 ' O ' HG21 ' A' ' 565' ' ' VAL . 28.0 m -147.2 144.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.328 0.585 . . . . 0.0 112.565 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.534 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.7 OUTLIER 63.73 44.98 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.608 179.125 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.549 HD11 ' CB ' ' A' ' 578' ' ' PRO . 14.9 mt -81.1 157.01 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.881 0.372 . . . . 0.0 111.25 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -76.98 159.11 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.014 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.502 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.19 118.49 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.241 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.49 ' N ' ' OG ' ' A' ' 576' ' ' SER . 11.2 mmt -86.5 -22.14 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.666 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -89.26 157.58 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.39 -3.25 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.75 -11.74 56.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.782 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.502 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.5 7.38 59.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.9 m-85 -120.89 -168.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 111.702 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.527 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 0.8 OUTLIER -160.24 177.31 10.78 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.136 0.494 . . . . 0.0 111.417 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.547 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.5 m-20 -122.77 57.93 10.58 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.174 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.549 ' CB ' HD11 ' A' ' 567' ' ' LEU . 35.2 Cg_endo -66.27 138.05 49.78 Favored 'Trans proline' 0 C--O 1.23 0.099 0 C-N-CA 123.283 2.655 . . . . 0.0 115.015 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.58 ' CD1' ' O ' ' A' ' 630' ' ' TRP . 12.8 p90 -136.42 161.58 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.326 -1.307 . . . . 0.0 107.785 177.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.52 ' CG1' HG21 ' A' ' 627' ' ' ILE . 22.0 t -116.25 128.34 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 119.962 -0.695 . . . . 0.0 112.501 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.481 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -111.42 135.98 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.806 179.028 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.529 ' CD2' HD12 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.13 136.66 53.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 0.0 111.736 -179.118 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.529 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.0 t90 -143.05 115.86 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.926 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.606 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.4 tp -93.35 121.42 34.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.053 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.452 ' HA ' ' C ' ' A' ' 586' ' ' PRO . 5.3 mttm -99.64 153.79 37.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.801 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.452 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 8.1 Cg_exo -73.26 -179.5 25.18 Favored 'Cis proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.732 -1.778 . . . . 0.0 111.668 -0.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -87.31 104.24 16.22 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.329 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -29.64 24.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.169 0.509 . . . . 0.0 109.804 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -132.45 -136.59 3.82 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.763 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 7.85 3.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.954 0.406 . . . . 0.0 110.573 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.05 6.18 14.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.558 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -52.23 -29.05 20.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.651 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 2.8 mttt -84.51 158.26 21.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 17.9 m-70 -153.36 174.43 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.539 . . . . 0.0 111.694 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.451 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.1 OUTLIER -161.14 115.33 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.916 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.471 HG22 ' HB ' ' A' ' 580' ' ' VAL . 5.4 p -72.98 156.9 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.254 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -40.05 144.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.576 HG23 ' CG ' ' A' ' 632' ' ' TYR . 3.9 mm -76.97 123.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.603 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.556 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -93.54 68.14 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.7 178.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.547 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 1.5 mttt -65.33 137.93 57.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.026 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.457 ' O ' ' HB ' ' A' ' 602' ' ' THR . 27.4 mmtt 64.85 57.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.962 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.571 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 5.0 t 179.0 145.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 111.375 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.527 ' CD2' ' HB2' ' A' ' 576' ' ' SER . 10.8 mt -118.72 -11.39 9.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.78 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 58.9 m-80 -131.27 47.85 3.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.409 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.554 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 79.8 Cg_endo -77.11 -172.64 1.5 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.025 2.483 . . . . 0.0 113.432 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.469 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.6 mt-10 -132.32 114.96 15.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.096 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.556 ' CD1' ' HD3' ' A' ' 599' ' ' LYS . 75.0 m-85 -80.03 -57.28 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.654 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.1 t30 52.45 46.8 26.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.004 0.43 . . . . 0.0 110.066 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.464 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 12.6 mm-40 -106.43 133.53 50.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.065 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 610' ' ' GLU . 0.2 OUTLIER -110.19 111.11 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 45.5 m-85 -94.58 171.43 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.162 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.3 t80 -143.58 121.31 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.561 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.606 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 7.5 m-85 -102.95 153.3 20.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -108.91 67.9 0.67 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.593 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.7 OUTLIER -135.97 136.15 49.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.46 141.14 54.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.289 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.578 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 56.4 t-80 -50.15 -45.61 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.975 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -23.52 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.525 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 0.9 OUTLIER -103.88 -31.16 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.749 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.593 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.76 -66.68 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.536 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.548 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -38.42 -54.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.484 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -62.56 -15.66 52.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.391 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.529 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 9.4 mmpt? -70.93 176.93 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.48 102.39 2.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.432 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 646' ' ' LEU . 58.8 tp -79.94 128.19 33.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.214 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -110.14 96.21 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.52 HG21 ' CG1' ' A' ' 580' ' ' VAL . 1.7 mp -92.2 100.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.755 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.491 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 58.0 p -113.08 136.99 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.126 0.488 . . . . 0.0 111.717 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.528 ' CG2' HD23 ' A' ' 675' ' ' LEU . 22.0 t -107.32 123.71 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.32 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 640' ' ' TYR . 31.8 m95 -123.75 148.62 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.408 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 639' ' ' ASP . 0.0 OUTLIER -85.17 113.93 21.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.002 0.429 . . . . 0.0 109.947 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.585 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 49.7 t80 -70.88 166.79 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.392 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.4 m-20 -160.03 126.49 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.588 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.443 ' N ' HD11 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -86.94 133.25 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 70.36 3.15 45.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.378 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -162.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 110.82 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.42 137.55 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . 0.401 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 6.6 p-10 -55.9 -166.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 631' ' ' ASP . 3.3 m-20 -157.56 145.0 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -84.27 119.14 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 18.2 mt -97.7 -42.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 153.07 158.79 8.71 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.486 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.54 -165.87 16.6 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.71 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -164.55 145.16 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.478 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 2.1 mt-30 -91.2 149.61 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 673' ' ' HIS . 15.7 mt -138.14 88.03 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 111.312 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -132.83 143.81 15.58 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.613 ' HA ' ' CD1' ' A' ' 655' ' ' LEU . 1.4 tt -61.49 -12.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-O 121.007 0.432 . . . . 0.0 111.403 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -89.23 15.57 8.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -94.14 -176.85 4.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.285 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 24.5 mmtt -154.6 131.99 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.665 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . 0.458 ' O ' ' HD2' ' A' ' 656' ' ' LYS . . . 119.9 -68.23 0.39 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.671 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.463 ' HA ' ' HD3' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -148.45 -46.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.5 OUTLIER -42.81 -27.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.613 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 12.2 tp -84.76 -43.61 14.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.138 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 3.6 mttp -49.63 -61.13 2.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.577 ' CD2' HG23 ' A' ' 669' ' ' ILE . 12.7 t-160 -64.17 -55.82 19.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 53.8 t-105 -52.77 -70.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.263 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.6 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -50.0 -61.35 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.077 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 17.4 pt-20 -43.54 -27.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.497 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.489 ' SG ' ' CB ' ' A' ' 548' ' ' LEU . 3.5 t -66.63 -42.5 86.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.2 OUTLIER -56.58 -27.69 58.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.309 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 660' ' ' GLU . 0.4 OUTLIER -79.2 -43.59 23.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.852 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.489 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -103.02 49.15 0.84 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.704 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.578 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 7.0 mtmt -47.36 -63.39 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.337 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.61 -11.78 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.804 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.489 ' HG3' ' OD1' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -106.8 147.75 29.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.494 ' HG2' ' N ' ' A' ' 669' ' ' ILE . 1.5 ttpt -80.58 145.69 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.264 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.577 HG23 ' CD2' ' A' ' 657' ' ' HIS . 1.2 mt -136.28 122.86 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.483 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.7 OUTLIER -129.55 152.1 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 111.716 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.51 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.06 160.64 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.572 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.528 ' NE1' HD12 ' A' ' 545' ' ' LEU . 90.4 m95 -93.04 132.89 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.4 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.571 ' CE1' HD23 ' A' ' 646' ' ' LEU . 77.2 m-70 -113.84 131.08 56.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.54 108.09 12.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.612 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.528 HD23 ' CG2' ' A' ' 629' ' ' VAL . 64.6 mt -52.55 136.76 31.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.359 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.454 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 2.0 mt-30 -118.86 163.65 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.534 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -117.18 111.02 18.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -82.27 -73.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 680' ' ' HIS . 0.1 OUTLIER -123.06 128.12 49.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 679' ' ' ASN . 43.7 m80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 641' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.787 0.327 . . . . 0.0 111.25 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 109.99 173.82 20.61 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.637 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER -135.39 135.8 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -111.66 129.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.426 . . . . 0.0 111.392 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.587 HD11 ' CG ' ' A' ' 672' ' ' TRP . 15.8 tp -80.98 116.06 20.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.432 HG23 HG22 ' A' ' 627' ' ' ILE . 54.4 t -115.98 130.64 70.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.287 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 1.3 p -115.03 117.32 30.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.4 mt -100.16 164.56 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.407 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.527 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.2 tmm? 174.34 127.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.467 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.52 ' CD2' ' HA ' ' A' ' 557' ' ' LEU . 49.2 t80 -107.9 131.88 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.86 0.362 . . . . 0.0 110.744 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.6 t -99.97 80.67 2.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.131 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 553' ' ' GLN . 1.3 p -52.19 -41.23 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 552' ' ' THR . 0.0 OUTLIER -38.54 -41.79 0.7 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.519 ' HG3' ' N ' ' A' ' 555' ' ' GLY . 0.0 OUTLIER -99.17 -39.59 8.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.035 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . 0.519 ' N ' ' HG3' ' A' ' 554' ' ' GLN . . . 104.92 31.3 4.5 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.567 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.481 ' C ' ' CE2' ' A' ' 550' ' ' TYR . . . -133.11 163.27 24.3 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.815 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.52 ' HA ' ' CD2' ' A' ' 550' ' ' TYR . 11.7 tp -94.69 156.24 16.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.398 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.557 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.0 OUTLIER -129.12 128.92 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.025 0.44 . . . . 0.0 110.972 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.521 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.8 t -118.28 121.2 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.639 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -113.39 117.69 4.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.428 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.538 ' CD1' HD22 ' A' ' 582' ' ' LEU . 7.4 mm -97.44 95.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.523 ' CB ' HD21 ' A' ' 545' ' ' LEU . 2.1 mp -70.34 -71.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.11 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -164.67 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 112.081 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 4.1 p -131.18 159.97 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.724 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.437 HG12 ' CH2' ' A' ' 672' ' ' TRP . 31.2 m -145.35 146.37 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.241 0.543 . . . . 0.0 112.329 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 57.57 55.63 5.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.425 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.535 HD11 ' CB ' ' A' ' 578' ' ' PRO . 26.9 mt -89.53 149.52 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.773 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -73.3 148.65 43.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.396 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.509 ' HB2' ' N ' ' A' ' 575' ' ' TYR . . . -113.81 109.83 19.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.538 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 2.3 mtm -86.04 -25.56 25.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.984 0.421 . . . . 0.0 110.765 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.17 150.53 48.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.615 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.9 -6.85 23.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -83.33 -10.37 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.98 4.82 64.65 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.222 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.509 ' N ' ' HB2' ' A' ' 569' ' ' ALA . 2.9 m-85 -124.85 -169.2 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.932 0.396 . . . . 0.0 111.795 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.452 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 0.6 OUTLIER -152.7 176.56 11.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.154 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.536 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 3.5 m-20 -123.63 62.02 23.54 Favored Pre-proline 0 N--CA 1.463 0.196 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.535 ' CB ' HD11 ' A' ' 567' ' ' LEU . 37.6 Cg_endo -68.17 144.07 61.66 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.15 2.566 . . . . 0.0 115.289 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 581' ' ' LYS . 19.7 p90 -144.73 162.02 37.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.399 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.463 ' O ' ' HA ' ' A' ' 595' ' ' LYS . 24.4 t -114.62 129.08 71.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 119.756 -0.778 . . . . 0.0 112.851 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.635 ' CD ' ' CD1' ' A' ' 630' ' ' TRP . 0.1 OUTLIER -111.56 130.09 55.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.526 178.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.538 HD22 ' CD1' ' A' ' 561' ' ' ILE . 0.0 OUTLIER -124.71 133.84 53.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.581 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 5.6 t90 -141.32 116.35 9.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 613' ' ' TYR . 6.8 tp -95.52 120.71 36.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.578 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.1 OUTLIER -101.32 175.27 2.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.584 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 587' ' ' ASP . 36.8 Cg_exo -61.17 -11.29 2.55 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.34 -1.525 . . . . 0.0 112.384 0.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.578 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 0.0 OUTLIER 95.32 137.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.409 179.418 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' MET . . . . . 0.459 ' SD ' ' O ' ' A' ' 614' ' ' ASP . 2.6 ptp -100.79 -39.43 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.709 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -138.69 -140.45 3.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -111.62 5.28 19.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.733 0.301 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -101.48 -2.67 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.983 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -56.57 -23.12 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.086 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.581 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.0 OUTLIER -92.51 164.69 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 22.7 m-70 -160.57 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.526 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.507 ' HG3' ' CG ' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -160.05 110.68 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.466 HG23 HG23 ' A' ' 561' ' ' ILE . 10.9 p -65.26 150.16 48.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.965 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 596' ' ' THR . 3.3 mt-30 -38.91 139.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.579 HG23 ' CG ' ' A' ' 632' ' ' TYR . 1.7 mm -75.89 119.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.535 ' HG2' ' CB ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -96.82 74.82 2.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -64.73 139.11 58.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 65.76 61.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.747 179.342 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.532 ' CG2' ' HB3' ' A' ' 605' ' ' PRO . 4.8 t -178.93 147.69 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 111.216 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 16.7 mt -119.46 -12.58 9.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.887 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.5 OUTLIER -132.76 49.64 4.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.431 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.535 ' CB ' ' HG2' ' A' ' 599' ' ' LYS . 73.2 Cg_endo -75.7 -176.99 3.27 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 123.05 2.5 . . . . 0.0 112.976 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.5 tm-20 -127.28 121.26 30.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.404 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.497 ' N ' ' O ' ' A' ' 562' ' ' ILE . 60.0 m-85 -87.03 -58.33 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.224 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 561' ' ' ILE . 39.8 t30 49.21 46.13 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.299 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.31 121.67 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.388 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -97.21 114.44 26.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 46.1 m-85 -96.81 178.67 5.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.228 0.537 . . . . 0.0 111.717 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.557 ' CE1' HD12 ' A' ' 558' ' ' ILE . 14.1 t80 -152.44 129.2 10.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.657 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 8.8 m-85 -108.07 156.76 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.62 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.459 ' O ' ' SD ' ' A' ' 588' ' ' MET . 4.7 m-20 -111.05 58.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.084 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.589 ' CG1' HD21 ' A' ' 620' ' ' LEU . 0.8 OUTLIER -121.11 142.41 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.418 ' N ' HG13 ' A' ' 615' ' ' ILE . 24.2 mttt -76.33 132.03 39.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.478 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.518 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 56.5 t-80 -42.66 -46.44 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 13.7 m -53.1 -24.46 10.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.54 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 4.7 m-20 -101.57 -27.99 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.589 HD21 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -35.44 -67.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 179.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.555 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -34.82 -57.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.772 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -62.34 -18.74 62.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.589 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 620' ' ' LEU . 11.4 mmpt? -64.18 170.93 3.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.107 0.48 . . . . 0.0 111.22 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 79.1 p -151.65 102.87 2.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.394 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 646' ' ' LEU . 38.0 tp -85.91 123.28 31.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.095 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 645' ' ' GLN . 14.7 t0 -107.28 100.38 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' A' ' 646' ' ' LEU . 3.2 mp -92.54 101.33 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.475 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.5 m -115.96 132.65 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 579' ' ' PHE . 10.1 t -102.33 126.13 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.041 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.635 ' CD1' ' CD ' ' A' ' 581' ' ' LYS . 34.5 m95 -124.4 149.65 46.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.966 0.412 . . . . 0.0 111.829 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.538 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.7 OUTLIER -84.88 111.91 20.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.13 179.125 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 28.8 t80 -74.54 164.65 26.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.316 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 19.6 m-20 -160.03 127.59 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.12 137.21 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . 0.448 ' O ' ' HD3' ' A' ' 636' ' ' LYS . . . 73.23 -1.23 43.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.833 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 635' ' ' GLY . 8.9 mmtm -138.59 -173.64 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.0 OUTLIER -80.05 -169.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 638' ' ' ASN . 0.0 OUTLIER -105.92 176.2 5.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 74.5 m-20 -135.55 145.71 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.682 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.601 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.52 110.09 20.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 111.038 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 54.2 mt -88.35 -38.79 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.515 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 153.55 165.34 13.49 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.058 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.97 -167.51 27.76 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.016 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.48 147.11 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.597 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.473 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 0.5 OUTLIER -94.84 163.54 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.569 HD23 ' CE1' ' A' ' 673' ' ' HIS . 38.5 mt -150.38 88.45 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.072 0.463 . . . . 0.0 111.479 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.59 144.58 15.7 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.625 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.3 tt -56.64 -15.8 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.982 0.391 . . . . 0.0 111.695 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 3.4 t -77.89 1.26 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.319 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.522 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -88.0 -167.27 1.83 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.333 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.427 ' HG3' ' C ' ' A' ' 650' ' ' ALA . 2.4 mttp -148.7 130.42 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 97.69 -122.31 7.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.685 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 656' ' ' LYS . 18.1 mt-10 -69.64 -53.07 20.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.02 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.522 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER -45.24 -34.69 2.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.762 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.564 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 23.1 tp -86.32 -46.25 10.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.527 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 10.1 pttt -56.05 -52.76 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.579 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 6.0 t-160 -62.53 -59.28 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.202 0.525 . . . . 0.0 110.584 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.7 t-105 -59.25 -82.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.239 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.579 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.98 -64.4 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.645 -179.451 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.59 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 3.3 pt-20 -44.91 -33.56 2.03 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.932 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 658' ' ' TRP . 21.4 t -58.82 -42.42 89.16 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.524 HD22 ' CB ' ' A' ' 620' ' ' LEU . 0.3 OUTLIER -55.85 -29.64 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.05 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -83.04 -40.27 20.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.005 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.462 ' OD1' ' HE3' ' A' ' 667' ' ' LYS . 7.5 m-20 -98.27 42.17 1.1 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.518 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.1 OUTLIER -46.19 -65.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.053 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -58.39 -14.91 8.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 549' ' ' MET . 8.4 mtmt -102.65 151.55 22.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.726 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.469 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -90.83 149.36 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.076 0.465 . . . . 0.0 111.348 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.59 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -137.65 120.96 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 18.6 pm0 -129.99 148.63 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.579 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -166.74 163.22 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.587 ' CG ' HD11 ' A' ' 545' ' ' LEU . 88.2 m95 -96.28 131.58 42.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.073 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.577 ' CE1' ' HD2' ' A' ' 671' ' ' ARG . 38.7 m-70 -109.72 132.07 54.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.5 100.23 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.04 0.448 . . . . 0.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.515 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 91.1 mt -44.67 128.77 6.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.581 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.456 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 1.1 mt-30 -120.78 175.92 5.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -107.39 100.41 9.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . 0.433 ' HA ' ' OE1' ' A' ' 678' ' ' GLU . 0.0 OUTLIER -49.98 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -97.07 -75.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.941 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.467 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.802 0.334 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 128.43 173.29 13.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.487 ' HD3' ' CG2' ' A' ' 565' ' ' VAL . 0.1 OUTLIER -135.34 141.34 45.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 0.0 110.572 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -118.54 126.7 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.967 0.413 . . . . 0.0 111.466 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.583 HD11 ' CG ' ' A' ' 672' ' ' TRP . 15.5 tp -79.89 120.15 23.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.727 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.68 130.66 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 62.4 p -114.89 105.62 13.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 669' ' ' ILE . 30.6 mt -85.79 162.47 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.386 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.521 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.6 OUTLIER 175.35 123.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.32 179.639 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.471 ' HB3' ' HG2' ' A' ' 665' ' ' LYS . 45.1 t80 -100.17 128.86 46.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 111.241 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.56 77.99 1.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.822 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.5 p -44.7 -42.75 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 109.989 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -46.55 59.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.041 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -82.14 -18.97 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.66 34.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.534 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -159.45 166.2 34.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.7 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.526 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.1 tp -90.28 159.29 16.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.325 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.561 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -129.72 119.64 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.188 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.52 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.1 t -105.58 117.72 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.471 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -104.0 106.6 2.82 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.727 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.523 ' CD1' HD23 ' A' ' 582' ' ' LEU . 32.7 mm -87.62 91.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 607' ' ' PHE . 2.0 mp -71.28 -77.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.529 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 4.5 ptp180 -159.14 168.09 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 111.854 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.502 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 0.9 OUTLIER -123.08 161.4 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.009 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.487 ' CG2' ' HD3' ' A' ' 543' ' ' LYS . 22.5 m -145.61 149.85 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.231 0.539 . . . . 0.0 112.167 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.519 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 2.2 t-80 55.5 48.58 18.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.306 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.546 HD11 ' CB ' ' A' ' 578' ' ' PRO . 28.2 mt -83.2 144.09 30.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.761 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.14 150.08 47.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.465 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.51 ' HB2' ' N ' ' A' ' 575' ' ' TYR . . . -115.92 109.15 17.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.023 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.531 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 2.9 mtm -86.89 -22.06 25.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 110.861 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.31 150.17 46.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.553 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.19 -7.19 21.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.279 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -83.44 -10.04 58.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.72 5.0 65.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.226 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.51 ' N ' ' HB2' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.81 -169.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 111.878 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.505 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 0.6 OUTLIER -153.41 170.1 21.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.126 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.467 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 46.5 m-20 -117.81 59.89 3.22 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.546 ' CB ' HD11 ' A' ' 567' ' ' LEU . 41.5 Cg_endo -68.2 142.75 56.56 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.386 2.724 . . . . 0.0 115.752 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.647 ' CE2' ' CE ' ' A' ' 581' ' ' LYS . 13.5 p90 -141.92 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.367 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.49 ' CG1' HG21 ' A' ' 627' ' ' ILE . 28.2 t -112.62 134.84 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.829 -0.749 . . . . 0.0 112.477 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.647 ' CE ' ' CE2' ' A' ' 579' ' ' PHE . 2.6 mttp -115.83 134.66 54.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.922 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.9 136.78 53.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.009 0.433 . . . . 0.0 111.477 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.567 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.8 t90 -145.55 118.08 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.953 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 14.5 tp -94.4 110.47 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.983 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.565 ' HD3' ' CZ2' ' A' ' 583' ' ' TRP . 5.5 mttt -85.69 149.61 51.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.419 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 4.0 Cg_exo -75.74 -178.72 24.57 Favored 'Cis proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.645 -1.814 . . . . 0.0 111.559 -0.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 587' ' ' ASP . 9.0 p-10 -81.96 105.94 13.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.733 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -40.7 27.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -133.43 0.18 4.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.74 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 8.7 tttm 87.75 -35.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 593' ' ' LYS . 0.5 OUTLIER -66.57 -10.77 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.635 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.457 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . -39.9 -26.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.766 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.567 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.7 mmtp -70.39 155.73 40.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.584 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.543 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 14.9 m-70 -156.0 166.44 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 111.373 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.534 ' CG ' ' HD3' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.38 110.6 2.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.51 ' CG2' HG13 ' A' ' 561' ' ' ILE . 7.3 p -68.01 157.14 35.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.465 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 1.1 pt20 -40.36 151.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.192 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.564 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.4 mm -84.89 121.43 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.334 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.536 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 2.1 mmpt? -90.31 76.29 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.105 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.569 ' HE3' ' CD1' ' A' ' 632' ' ' TYR . 8.4 mmtm -53.8 146.52 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.15 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 33.39 73.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.371 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.539 HG22 ' CG ' ' A' ' 605' ' ' PRO . 2.7 t -177.67 144.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.763 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.522 ' CD1' ' O ' ' A' ' 567' ' ' LEU . 15.6 mt -118.68 -12.56 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 2.7 m-80 -127.85 46.91 2.31 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 87.1 Cg_endo -78.26 178.55 7.45 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.863 2.376 . . . . 0.0 113.15 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.529 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 22.6 tt0 -130.76 113.73 14.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 562' ' ' ILE . 66.0 m-85 -79.65 -56.69 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 23.6 t-20 55.46 46.04 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.044 0.449 . . . . 0.0 110.06 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.29 120.16 41.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.337 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.66 106.04 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.438 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.543 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 19.8 m-85 -86.84 171.53 10.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.829 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.2 t80 -144.45 122.83 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.38 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 7.2 m-85 -103.0 152.25 21.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -106.07 65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.59 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.8 OUTLIER -134.78 139.7 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.599 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.417 ' HA ' ' OH ' ' A' ' 550' ' ' TYR . 1.7 mmmp? -74.74 136.07 41.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.573 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 55.9 t-80 -43.55 -51.24 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.7 m -49.01 -22.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.522 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 8.4 m-20 -104.45 -30.81 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.814 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.59 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.7 -67.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.616 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.546 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -37.14 -55.55 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.818 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -62.96 -17.37 61.92 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.303 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.528 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 9.2 mmpt? -67.84 178.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 111.066 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.6 p -153.88 103.0 2.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.399 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 646' ' ' LEU . 33.1 tp -80.4 140.45 36.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.936 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 2.9 t70 -124.5 97.71 5.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.49 HG21 ' CG1' ' A' ' 580' ' ' VAL . 1.9 mp -92.11 96.8 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.481 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 53.6 p -111.98 131.35 55.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.444 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 579' ' ' PHE . 10.5 t -104.0 127.16 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.188 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.594 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 44.1 m95 -123.22 147.56 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.422 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.531 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.2 OUTLIER -86.25 110.69 19.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 30.0 t80 -61.6 164.05 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.1 OUTLIER -159.31 128.44 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.433 HD11 HG22 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -89.55 141.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.7 -3.83 54.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -167.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 0.1 OUTLIER -80.02 -174.91 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 -166.1 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 631' ' ' ASP . 21.1 m-20 -147.31 144.92 29.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.92 108.5 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.522 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 67.3 mt -87.39 -39.98 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.474 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 151.35 165.4 12.89 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -170.13 -160.21 17.9 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.581 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.61 154.28 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.468 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 5.9 mt-30 -97.73 157.2 16.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 625' ' ' LEU . 26.1 mt -143.69 93.55 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.244 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.44 141.56 11.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.106 -0.568 . . . . 0.0 111.744 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.608 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.0 OUTLIER -57.2 -13.79 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.149 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 2.9 t -88.03 15.63 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 109.962 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.514 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -94.61 -161.39 0.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.355 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -154.29 138.87 16.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.576 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . 0.463 ' O ' ' HG3' ' A' ' 656' ' ' LYS . . . 96.21 -110.17 3.98 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.392 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.46 -44.68 7.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.318 . . . . 0.0 111.047 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.514 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER -43.49 -27.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.641 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.563 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 30.0 tp -90.28 -52.3 5.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 11.4 mttm -48.86 -62.69 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.259 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.592 ' CD2' HG23 ' A' ' 669' ' ' ILE . 5.6 t-80 -54.2 -56.36 19.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 0.0 110.586 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -60.4 -78.43 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.189 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.598 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -42.29 -64.93 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.393 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.554 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -44.33 -30.57 0.85 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.092 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 8.0 t -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.3 OUTLIER -58.45 -25.55 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.23 178.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -44.04 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.076 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 1.9 m-20 -100.58 39.38 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.573 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -37.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.2 -22.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 17.8 mmtm -94.69 142.48 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 0.0 110.77 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -79.57 137.43 37.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 111.126 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.592 HG23 ' CD2' ' A' ' 657' ' ' HIS . 0.8 OUTLIER -123.78 114.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.478 179.748 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.503 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.2 OUTLIER -120.51 150.01 41.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 111.608 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.59 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -172.11 145.63 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.919 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.583 ' CG ' HD11 ' A' ' 545' ' ' LEU . 92.1 m95 -81.33 131.36 35.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.406 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.573 ' CE1' ' HD2' ' A' ' 671' ' ' ARG . 78.7 m-70 -110.84 130.48 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.36 107.68 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.474 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 90.0 mt -49.93 129.32 20.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.182 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -117.79 164.9 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -102.91 112.93 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -85.16 -73.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -140.28 165.99 25.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.469 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 112.42 173.3 19.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.807 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 6.6 mtmm -132.74 139.94 47.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.47 HG13 HG23 ' A' ' 580' ' ' VAL . 0.0 OUTLIER -117.74 127.8 75.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.581 HD11 ' CD1' ' A' ' 672' ' ' TRP . 17.3 tp -80.27 131.11 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.562 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 50.7 t -130.46 135.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.474 ' HB3' ' HG3' ' A' ' 670' ' ' GLU . 26.3 p -115.48 111.15 20.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.397 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 658' ' ' TRP . 16.1 mt -91.45 164.22 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.936 0.398 . . . . 0.0 111.43 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 558' ' ' ILE . 0.8 OUTLIER 175.38 138.16 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.034 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.54 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 46.1 t80 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 111.223 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.28 82.55 2.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.48 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.0 OUTLIER -50.38 -33.2 19.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.311 0.577 . . . . 0.0 109.843 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.38 -48.15 77.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.687 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 612' ' ' PHE . 21.4 mt-30 -83.49 -16.25 46.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.933 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.57 40.36 54.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.446 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.68 166.8 32.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.61 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.54 ' HA ' ' CD1' ' A' ' 550' ' ' TYR . 12.5 tp -92.77 159.27 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -128.01 123.77 61.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.002 0.429 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.538 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 4.9 t -112.85 119.41 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -109.87 122.24 6.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.597 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.527 ' CD1' HD23 ' A' ' 582' ' ' LEU . 33.4 mm -102.57 97.71 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.506 HD12 ' CG ' ' A' ' 670' ' ' GLU . 2.8 mp -73.81 -75.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -159.55 172.41 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 111.92 -179.088 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 2.3 p -128.69 159.64 34.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.042 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 34.1 m -142.17 145.53 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.518 . . . . 0.0 112.348 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.68 56.34 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.318 179.541 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.528 HD11 ' CB ' ' A' ' 578' ' ' PRO . 47.1 mt -88.93 151.13 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.38 155.11 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.41 118.2 36.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.495 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -85.9 -21.07 28.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.94 162.92 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.2 -5.21 48.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -11.09 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.746 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.81 6.44 59.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.569 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -120.93 -168.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.785 0.326 . . . . 0.0 111.747 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.47 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.5 OUTLIER -158.2 175.94 13.12 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.063 0.458 . . . . 0.0 111.639 -179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.476 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 6.2 m-20 -119.98 58.07 5.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.528 ' CB ' HD11 ' A' ' 567' ' ' LEU . 37.4 Cg_endo -67.27 146.05 74.27 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 123.489 2.793 . . . . 0.0 115.473 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.587 ' CE2' ' HD2' ' A' ' 581' ' ' LYS . 16.1 p90 -145.4 159.93 42.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.804 -1.544 . . . . 0.0 107.756 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.52 HG22 ' CE2' ' A' ' 607' ' ' PHE . 25.6 t -109.3 133.1 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.871 -0.731 . . . . 0.0 111.958 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.587 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -118.23 130.74 56.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.171 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.545 HD12 ' CE1' ' A' ' 611' ' ' PHE . 0.0 OUTLIER -120.68 142.07 49.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.537 -178.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.56 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.7 t90 -148.69 113.49 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.186 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.582 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 12.0 tp -90.59 137.44 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.791 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.532 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -143.39 165.89 22.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.794 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 38.4 Cg_exo -60.98 -13.38 2.83 Favored 'Cis proline' 0 C--N 1.35 0.649 0 C-N-CA 123.821 -1.325 . . . . 0.0 112.343 0.102 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.532 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 0.1 OUTLIER 54.59 -160.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.723 179.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' MET . . . . . 0.452 ' HE1' ' HA ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -110.11 -4.43 15.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.857 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -166.39 -176.49 37.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.465 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -95.62 -14.06 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -84.54 11.93 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.524 ' CB ' ' OD2' ' A' ' 587' ' ' ASP . . . -66.17 -8.24 22.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.382 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.521 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 24.3 mttt -70.41 158.15 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.517 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 16.3 m-70 -143.24 173.31 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 0.0 OUTLIER -155.99 114.64 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.22 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.493 HG22 ' HB ' ' A' ' 580' ' ' VAL . 5.1 p -73.16 164.84 26.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.246 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.523 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 7.3 pt20 -43.93 139.6 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.591 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -80.87 122.95 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.53 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -100.82 80.31 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.272 0.558 . . . . 0.0 109.939 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.58 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 13.6 mmtm -50.62 152.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.123 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 2.8 mmmt 32.04 77.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.357 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.565 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 2.5 t -178.99 141.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 9.2 mt -116.82 -11.98 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.521 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 21.1 m-80 -129.71 49.33 4.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.556 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 98.2 Cg_endo -79.48 -178.7 4.78 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 123.013 2.475 . . . . 0.0 113.11 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.465 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.4 tm-20 -132.62 117.02 17.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.322 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.52 ' CE2' HG22 ' A' ' 580' ' ' VAL . 55.4 m-85 -85.2 -57.63 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.309 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 561' ' ' ILE . 16.9 t-20 53.2 49.46 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.073 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.435 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 6.6 mm-40 -108.11 132.64 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.251 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -106.45 112.78 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 582' ' ' LEU . 41.3 m-85 -93.33 172.75 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.537 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.0 t80 -144.55 123.59 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.294 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.582 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 8.3 m-85 -105.73 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.76 63.49 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.57 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.8 OUTLIER -127.47 138.76 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.671 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.21 131.88 44.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.244 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.596 ' CD2' ' HE2' ' A' ' 665' ' ' LYS . 57.1 t-80 -43.81 -46.01 7.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -25.17 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.529 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 1.2 m-20 -100.57 -29.37 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.57 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.88 -68.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.812 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.544 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -34.78 -53.88 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.075 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.0 67.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.496 -179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.556 ' N ' ' O ' ' A' ' 620' ' ' LEU . 9.3 mmpt? -62.37 167.39 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.44 102.23 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.39 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 646' ' ' LEU . 48.8 tp -79.85 122.75 27.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.136 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -106.85 97.85 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 3.1 mp -91.13 103.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.468 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 31.0 m -118.29 133.23 56.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.113 0.482 . . . . 0.0 111.804 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.523 ' CG2' HD23 ' A' ' 675' ' ' LEU . 6.9 t -101.11 126.38 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.088 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.659 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 37.4 m95 -124.52 148.21 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.565 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.495 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -85.69 116.96 24.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.624 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 50.7 t80 -66.69 167.78 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.502 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.624 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 3.2 m-20 -159.04 123.13 3.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.602 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -86.17 128.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.21 -6.04 57.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.586 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -137.51 -173.76 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -82.8 159.59 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . 0.458 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 19.0 m120 -78.71 -177.38 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.468 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 40.4 m-20 -139.81 150.37 44.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.659 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.81 114.15 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' A' ' 578' ' ' PRO . 11.3 mt -90.8 -39.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.867 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.476 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 151.82 160.1 9.32 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.331 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -160.2 -169.25 23.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.825 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.96 148.08 16.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.345 . . . . 0.0 110.586 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.469 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 56.2 mt-30 -96.03 147.3 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.549 HD23 ' CE1' ' A' ' 673' ' ' HIS . 22.0 mt -135.33 88.9 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -133.45 145.07 17.14 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.614 ' HA ' ' CD1' ' A' ' 655' ' ' LEU . 1.3 tt -60.13 -13.14 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 116.983 0.391 . . . . 0.0 111.573 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -86.38 13.27 8.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.15 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 651' ' ' LYS . . . -93.88 173.22 7.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.319 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 650' ' ' ALA . 1.3 mttt -148.1 132.07 17.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.695 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . 0.45 ' O ' ' HE2' ' A' ' 656' ' ' LYS . . . 122.8 -58.16 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.71 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -158.84 -48.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 111.031 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 2.7 mtt-85 -41.88 -28.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.614 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 18.4 tp -80.34 -48.81 12.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 13.2 mttm -50.22 -45.08 53.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.036 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.526 ' CD2' HG23 ' A' ' 669' ' ' ILE . 19.9 t-160 -74.68 -67.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.975 0.417 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 42.6 t-105 -43.31 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.766 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.596 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -40.04 -54.24 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.474 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 669' ' ' ILE . 7.3 mm-40 -37.41 -46.13 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.525 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.521 ' O ' ' NZ ' ' A' ' 665' ' ' LYS . 34.6 t -50.2 -40.45 47.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.307 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.6 OUTLIER -64.96 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.969 179.598 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.456 ' HD2' ' OE2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -78.32 -39.19 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.416 ' ND2' ' CG ' ' A' ' 663' ' ' LYS . 65.6 m-80 -116.86 102.61 9.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.288 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.596 ' HE2' ' CD2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -89.01 -72.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.588 -179.697 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -39.36 -28.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.4 mtmt -105.1 146.55 28.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.477 ' CE ' ' OE1' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -98.34 162.93 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.37 -179.563 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.527 HG22 HD11 ' A' ' 669' ' ' ILE . 0.6 OUTLIER -123.39 114.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.202 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.506 ' CG ' HD12 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -103.94 131.23 51.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.935 0.398 . . . . 0.0 111.167 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.524 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 2.2 mmt-85 -154.09 162.8 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.502 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.581 ' CD1' HD11 ' A' ' 545' ' ' LEU . 78.8 m95 -103.75 132.6 49.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.725 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.549 ' CE1' HD23 ' A' ' 646' ' ' LEU . 69.5 m-70 -114.21 129.77 56.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.452 ' O ' ' HG2' ' A' ' 676' ' ' GLN . 4.1 mt-30 -78.21 102.02 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.523 HD23 ' CG2' ' A' ' 629' ' ' VAL . 88.1 mt -44.51 129.28 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 674' ' ' GLN . 8.6 mm100 -120.07 166.57 13.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.629 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -108.75 118.56 37.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . 0.576 ' CG ' ' N ' ' A' ' 679' ' ' ASN . 2.8 pt-20 -78.94 -55.21 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . 0.576 ' N ' ' CG ' ' A' ' 678' ' ' GLU . 1.5 t-20 -92.67 144.67 25.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.987 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.905 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.46 ' HD3' ' OD1' ' A' ' 677' ' ' ASN . 21.9 mtm180 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -118.42 -166.53 13.7 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.709 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.518 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 7.6 mtmt -130.53 137.75 49.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.537 HD11 HG22 ' A' ' 544' ' ' ILE . 0.0 OUTLIER -114.02 126.84 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 111.409 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 544' ' ' ILE . 14.0 tp -79.28 116.58 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.759 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.454 HG23 HG22 ' A' ' 627' ' ' ILE . 42.7 t -119.49 135.97 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 30.3 t -115.71 144.13 44.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.672 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.522 ' CD1' ' HA ' ' A' ' 658' ' ' TRP . 15.4 mt -117.35 162.08 18.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 111.174 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.535 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.9 OUTLIER 176.45 114.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.47 ' HB3' ' HG3' ' A' ' 665' ' ' LYS . 47.1 t80 -95.51 132.52 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 111.151 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.81 79.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.3 p -45.69 -41.25 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -47.01 60.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.201 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.24 -19.03 37.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.5 38.75 32.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.43 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.96 170.45 34.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.633 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.517 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 7.0 tp -94.57 155.12 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 0.0 110.627 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.589 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.6 mm -123.77 119.56 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.889 0.376 . . . . 0.0 110.714 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.507 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 1.8 t -106.33 121.05 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.39 111.42 3.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.325 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.509 ' CD1' HD23 ' A' ' 582' ' ' LEU . 49.3 mm -88.67 102.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 607' ' ' PHE . 1.6 mt -78.94 -76.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 606' ' ' GLU . 1.9 ptm180 -158.35 173.5 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.04 0.448 . . . . 0.0 111.76 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.6 p -130.44 159.9 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.042 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.06 150.97 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.404 0.621 . . . . 0.0 112.534 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.527 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.509 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.512 HD21 ' HA3' ' A' ' 542' ' ' GLY . 33.1 mt -83.72 155.1 23.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.868 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.471 ' O ' ' OG ' ' A' ' 576' ' ' SER . . . -75.54 166.39 23.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.508 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -108.27 120.8 43.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.544 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -90.88 -17.74 25.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.199 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -103.65 164.12 11.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.023 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.18 -3.63 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.193 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 -11.06 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.508 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 91.73 11.56 60.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.294 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.9 m-85 -125.19 -169.21 1.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 111.814 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' A' ' 568' ' ' ALA . 17.2 m -153.99 177.75 10.7 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.23 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 578' ' ' PRO . 2.1 m-20 -127.94 55.29 15.83 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.527 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 38.9 Cg_endo -68.17 143.47 59.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.569 2.846 . . . . 0.0 115.406 -177.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 22.4 p90 -138.6 161.68 36.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 113.974 -1.466 . . . . 0.0 107.425 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 607' ' ' PHE . 48.8 t -111.76 132.72 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.764 -0.775 . . . . 0.0 112.785 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 9.5 mttm -117.14 131.61 56.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.562 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.509 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.12 143.98 47.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.034 0.445 . . . . 0.0 111.748 -178.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.568 ' CE3' ' HE3' ' A' ' 585' ' ' LYS . 4.3 t90 -151.65 114.63 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.176 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.592 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.7 tp -90.03 111.39 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.223 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.568 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 0.6 OUTLIER -100.36 179.98 0.93 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.56 -179.285 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.581 ' O ' ' CB ' ' A' ' 587' ' ' ASP . 10.0 Cg_endo -53.02 -51.75 0.14 OUTLIER 'Cis proline' 0 C--N 1.347 0.492 0 C-N-CA 123.483 -1.465 . . . . 0.0 112.302 -0.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.581 ' CB ' ' O ' ' A' ' 586' ' ' PRO . 1.4 t70 149.54 137.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.054 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 614' ' ' ASP . 3.4 ptp -112.71 -26.11 8.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.199 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.463 ' O ' ' OD2' ' A' ' 587' ' ' ASP . . . -138.44 -134.45 3.2 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.046 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -135.35 6.95 3.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 0.0 110.546 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -114.1 9.92 17.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.494 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . -58.12 -24.73 59.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.458 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 2.5 mttt -77.89 165.56 23.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.582 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 8.8 m-70 -160.3 172.08 17.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.12 0.486 . . . . 0.0 111.703 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.25 120.57 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.057 179.464 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.486 HG23 HG13 ' A' ' 561' ' ' ILE . 5.7 p -78.54 172.49 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.064 0.459 . . . . 0.0 111.263 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -51.17 151.9 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.573 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -83.73 129.38 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.397 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.527 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 3.3 mmpt? -98.88 74.85 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.08 0.467 . . . . 0.0 110.143 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.575 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 18.5 mmtm -51.65 140.63 18.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.285 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.502 ' HD2' ' CB ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 34.27 82.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.823 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 5.1 t 178.09 139.15 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.472 ' HA ' ' HB2' ' A' ' 567' ' ' LEU . 10.9 mt -109.52 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.408 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -136.56 54.03 8.48 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.56 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 87.6 Cg_endo -79.16 -170.46 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.813 2.342 . . . . 0.0 113.145 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 563' ' ' ARG . 1.2 tt0 -134.0 122.37 22.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.348 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 580' ' ' VAL . 63.4 m-85 -88.84 -59.14 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.267 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.7 t-20 54.98 49.2 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.439 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.0 OUTLIER -109.13 136.62 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -109.1 111.92 23.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.71 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 35.9 m-85 -95.84 174.03 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.126 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.589 ' CE1' HD12 ' A' ' 558' ' ' ILE . 6.1 t80 -146.55 127.33 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.528 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.592 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 8.7 m-85 -107.81 156.55 19.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.432 ' O ' ' SD ' ' A' ' 588' ' ' MET . 0.9 OUTLIER -112.38 60.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.576 ' CG1' HD22 ' A' ' 620' ' ' LEU . 1.0 OUTLIER -124.41 145.5 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.44 ' N ' HG13 ' A' ' 615' ' ' ILE . 5.1 mmtt -75.67 130.94 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.511 ' NE2' ' HD2' ' A' ' 665' ' ' LYS . 47.9 t-80 -43.57 -45.92 6.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -20.12 56.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.527 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 32.0 m-20 -99.57 -28.56 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.576 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.2 OUTLIER -34.52 -66.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.545 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -40.8 -48.04 2.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.641 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.61 63.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.098 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.533 ' CE ' HD12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -73.0 -176.48 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.4 p -159.83 104.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.048 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 21.3 tp -79.44 149.53 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.95 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -132.56 96.77 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.454 HG22 HG23 ' A' ' 546' ' ' VAL . 2.7 mp -92.19 98.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.493 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 28.6 m -113.76 129.94 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.638 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.511 ' CG2' HD23 ' A' ' 675' ' ' LEU . 14.6 t -98.88 120.86 48.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.289 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.586 ' CZ3' ' HB2' ' A' ' 640' ' ' TYR . 39.6 m95 -118.07 149.03 41.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.459 ' CB ' ' HG3' ' A' ' 570' ' ' MET . 0.4 OUTLIER -87.55 138.01 31.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.321 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 23.0 t80 -90.44 164.44 14.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.201 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -157.96 131.79 7.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.502 HD11 HG22 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -86.06 124.9 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.046 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.44 -9.35 67.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.31 -169.08 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 638' ' ' ASN . 15.6 p -97.8 144.02 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 637' ' ' SER . 0.2 OUTLIER -52.69 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 630' ' ' TRP . 1.7 m-20 -149.95 156.68 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.586 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.69 118.35 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.527 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 76.4 mt -97.49 -44.95 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.459 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 160.82 159.29 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.43 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.89 -163.05 19.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.787 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.16 166.21 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.307 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -112.92 134.67 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 673' ' ' HIS . 8.5 mt -117.81 98.7 6.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.314 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.51 144.51 14.53 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.534 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.632 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.0 OUTLIER -58.54 -13.77 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 120.87 0.367 . . . . 0.0 111.642 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.9 t -85.48 12.12 9.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.151 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -91.01 178.14 6.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.167 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER -154.55 132.17 11.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.67 179.648 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' A' ' 653' ' ' GLU . . . 127.89 -68.85 0.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.812 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 652' ' ' GLY . 19.5 mt-10 -150.66 -37.98 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.546 0.212 . . . . 0.0 111.567 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.497 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 3.6 mtm180 -53.71 -42.83 68.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.722 0.296 . . . . 0.0 111.11 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.584 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 30.4 tp -56.58 -45.14 81.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.935 0.397 . . . . 0.0 110.49 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 65.0 mttm -58.01 -42.67 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.721 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.519 ' NE2' ' O ' ' A' ' 669' ' ' ILE . 9.0 t-160 -72.06 -65.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.487 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.0 t-105 -48.59 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.63 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.4 OUTLIER -33.68 -53.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.376 179.493 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 656' ' ' LYS . 1.0 OUTLIER -38.09 -47.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.074 0.464 . . . . 0.0 110.444 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 22.8 t -45.84 -39.36 8.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 659' ' ' TYR . 2.1 mp -68.12 -28.41 67.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.641 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 660' ' ' GLU . 1.9 mtpt -86.9 -44.49 11.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.463 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -108.07 56.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.633 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.511 ' HD2' ' NE2' ' A' ' 617' ' ' HIS . 2.2 mppt? -42.77 -89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.94 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.549 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.6 mmtp -80.01 161.01 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -101.54 142.0 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.519 ' O ' ' NE2' ' A' ' 657' ' ' HIS . 1.2 mm -124.53 93.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.191 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 17.1 pm0 -108.71 141.9 40.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.127 0.489 . . . . 0.0 111.563 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.575 ' HD2' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -166.18 162.23 17.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.675 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.522 ' NE1' HD12 ' A' ' 545' ' ' LEU . 95.5 m95 -90.91 130.56 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.002 0.43 . . . . 0.0 111.657 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.575 ' CE1' ' HD2' ' A' ' 671' ' ' ARG . 52.9 m-70 -111.68 131.42 55.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.651 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.518 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -77.59 113.17 15.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.587 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.511 HD23 ' CG2' ' A' ' 629' ' ' VAL . 82.1 mt -53.65 129.26 32.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.508 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 643' ' ' GLY . 0.9 OUTLIER -123.04 163.32 20.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.539 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . 0.46 ' OD1' ' HD3' ' A' ' 541' ' ' ARG . 2.3 m120 -95.39 123.54 38.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.77 -45.49 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -115.45 -87.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.466 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.676 0.274 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 117.68 166.56 13.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.688 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 131.0 53.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.51 ' CD1' HG21 ' A' ' 546' ' ' VAL . 0.0 OUTLIER -109.39 129.33 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 111.454 -179.708 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.536 HD12 ' NE1' ' A' ' 672' ' ' TRP . 16.7 tp -79.92 115.29 19.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.612 ' HB ' ' CE1' ' A' ' 673' ' ' HIS . 37.5 t -117.88 135.3 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.0 OUTLIER -111.04 142.45 43.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.7 mt -120.12 156.67 30.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.429 . . . . 0.0 111.213 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.514 ' O ' ' N ' ' A' ' 558' ' ' ILE . 4.8 tmm? 177.6 127.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.133 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.2 t80 -106.56 132.72 52.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.044 0.45 . . . . 0.0 111.302 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 79.8 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.827 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.45 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.3 p -45.76 -41.2 10.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 110.188 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.39 -45.9 55.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.224 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -85.75 -19.22 31.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.713 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.18 38.97 33.16 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.497 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.96 167.66 32.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.571 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.505 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.6 tp -94.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.1 mm -125.35 120.0 56.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.2 t -106.87 120.48 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -106.59 108.51 2.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.601 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.519 HG13 ' CG2' ' A' ' 596' ' ' THR . 28.2 mm -86.88 96.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.533 ' CD1' ' HG ' ' A' ' 545' ' ' LEU . 2.1 mt -75.72 -77.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -157.73 170.18 22.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 111.773 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.493 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 1.0 OUTLIER -126.17 160.47 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.333 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.516 HG12 ' CH2' ' A' ' 672' ' ' TRP . 33.0 m -142.98 146.13 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 112.173 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.517 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 54.12 58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.386 179.441 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.521 HD11 ' CB ' ' A' ' 578' ' ' PRO . 19.2 mt -90.5 152.21 21.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.38 45.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.495 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -107.43 118.26 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.479 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 10.1 mmt -87.9 -21.81 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.04 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -10.81 58.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.785 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.64 8.36 59.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.538 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -120.37 -168.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.557 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.499 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 0.5 OUTLIER -160.79 170.28 21.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.067 0.461 . . . . 0.0 111.583 -179.566 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.529 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 5.2 m-20 -117.07 59.73 2.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.521 ' CB ' HD11 ' A' ' 567' ' ' LEU . 36.5 Cg_endo -67.28 145.5 72.32 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 123.359 2.706 . . . . 0.0 115.28 -177.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.4 p90 -141.83 161.37 38.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.965 -1.47 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 607' ' ' PHE . 24.3 t -113.42 132.71 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.39 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.475 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.8 OUTLIER -115.34 134.6 54.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.711 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.516 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.2 OUTLIER -122.62 137.99 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.939 0.4 . . . . 0.0 111.559 -179.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.565 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.0 t90 -145.96 117.69 8.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.966 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 15.4 tp -94.72 113.45 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.717 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.508 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -99.04 166.44 13.03 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.942 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.525 ' O ' ' C ' ' A' ' 587' ' ' ASP . 6.1 Cg_exo -79.35 107.93 1.13 Allowed 'Cis proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.602 -1.416 . . . . 0.0 111.825 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 586' ' ' PRO . 7.3 p-10 -6.59 105.45 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.526 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -34.13 30.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.752 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -128.93 -4.88 5.02 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.616 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.3 OUTLIER 87.7 -31.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.766 0.317 . . . . 0.0 111.055 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -83.98 10.27 10.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.714 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.564 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . -55.1 -23.65 21.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.565 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.4 mmtp -61.83 150.02 38.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.503 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 4.7 m-70 -147.6 172.73 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.394 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.1 OUTLIER -159.67 132.87 6.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.246 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.519 ' CG2' HG13 ' A' ' 561' ' ' ILE . 33.9 p -89.72 167.37 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.98 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -51.81 139.19 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.59 HG23 ' CG ' ' A' ' 632' ' ' TYR . 2.9 mm -77.96 119.97 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.608 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.541 ' HG2' ' CB ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -99.66 83.9 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.466 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 1.3 mmtm -63.64 152.34 39.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.098 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm 44.65 66.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.886 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.54 ' CG2' ' HB3' ' A' ' 605' ' ' PRO . 3.3 t -178.16 144.13 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 111.131 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.499 ' CD2' ' HB2' ' A' ' 576' ' ' SER . 10.4 mt -118.65 -11.53 9.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 1.1 m-80 -129.99 47.25 2.71 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.456 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 72.6 Cg_endo -76.23 -175.78 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.961 2.441 . . . . 0.0 113.002 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.463 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.6 tt0 -132.41 116.95 17.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 580' ' ' VAL . 64.3 m-85 -82.59 -56.84 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 52.15 47.45 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 -179.486 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 561' ' ' ILE . 0.8 OUTLIER -108.91 130.09 55.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.352 -179.401 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.51 108.41 19.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.513 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 19.3 m-85 -90.32 174.06 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.935 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.9 t80 -146.87 128.15 14.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 8.9 m-85 -107.65 153.9 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.002 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -108.54 62.5 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.111 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.563 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.9 OUTLIER -128.32 145.56 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.653 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 615' ' ' ILE . 2.6 mptt -76.9 131.64 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 51.8 t-80 -41.67 -51.23 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -17.27 3.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.37 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.529 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 84.0 m-20 -105.16 -29.13 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.563 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.66 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 179.566 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.556 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -33.83 -53.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.103 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -65.01 -26.35 68.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.77 0.319 . . . . 0.0 111.464 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.536 ' N ' ' O ' ' A' ' 620' ' ' LEU . 0.0 OUTLIER -56.7 -176.03 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.1 0.476 . . . . 0.0 111.145 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 29.5 p -159.19 103.69 1.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.289 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.473 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 29.0 tp -79.69 147.81 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.918 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 12.6 t0 -130.78 93.24 3.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.437 HG21 ' CG1' ' A' ' 580' ' ' VAL . 2.2 mp -88.66 102.72 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.474 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 50.4 p -117.85 131.22 56.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.057 0.456 . . . . 0.0 111.777 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 579' ' ' PHE . 10.9 t -102.13 122.17 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.238 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.66 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 42.8 m95 -121.64 150.55 41.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 111.417 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.479 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -83.85 128.15 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.852 179.225 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.59 ' CG ' HG23 ' A' ' 598' ' ' ILE . 30.4 t80 -90.73 159.72 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.298 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.544 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.3 OUTLIER -160.22 127.85 4.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.416 HD13 ' HE2' ' A' ' 600' ' ' LYS . 0.0 OUTLIER -79.64 136.29 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 84.02 -17.41 27.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.95 -173.21 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 60.7 p -79.84 -162.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.89 172.54 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.463 ' HB2' ' HB3' ' A' ' 631' ' ' ASP . 0.9 OUTLIER -130.96 154.39 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.712 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.66 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -94.46 114.45 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 26.8 mt -92.36 -38.15 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.468 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 151.29 160.85 9.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 676' ' ' GLN . . . -163.94 -161.5 13.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.682 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.76 159.59 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.827 0.346 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -107.8 134.89 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.724 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.506 HD13 ' NE2' ' A' ' 673' ' ' HIS . 8.9 mt -123.51 104.54 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -146.12 146.23 16.08 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.633 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.4 tt -62.9 -10.32 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.003 0.43 . . . . 0.0 111.238 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -88.3 13.55 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -95.04 177.58 5.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.248 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 13.9 mtmt -160.06 131.06 5.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.41 -51.3 0.86 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.669 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 3.8 tt0 -167.35 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.618 0.247 . . . . 0.0 111.591 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.502 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 4.1 mtm180 -55.82 -45.59 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.226 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.588 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 15.7 tp -55.0 -38.0 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 110.647 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.1 OUTLIER -59.51 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.566 ' CD2' HG23 ' A' ' 669' ' ' ILE . 21.1 t-160 -66.82 -52.38 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.939 0.4 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 60.6 t-105 -61.94 -61.97 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.885 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.583 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -59.6 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.264 -178.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.5 pt-20 -42.78 -33.34 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 1.6 t -62.87 -41.58 99.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.2 OUTLIER -54.64 -37.79 66.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 1.2 pttt -72.0 -41.05 68.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.476 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 33.8 m-20 -103.68 87.88 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.377 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.1 OUTLIER -79.14 -70.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.7 -17.76 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.4 mtmm -94.57 135.92 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.463 ' HD3' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -79.9 153.37 29.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.162 0.506 . . . . 0.0 111.473 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.566 HG23 ' CD2' ' A' ' 657' ' ' HIS . 1.1 mt -135.78 143.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.271 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 3.3 pm0 -150.5 148.55 28.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 111.555 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.475 ' HG3' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -173.88 149.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.536 ' NE1' HD12 ' A' ' 545' ' ' LEU . 91.4 m95 -79.18 129.13 34.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.287 0.565 . . . . 0.0 111.659 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.612 ' CE1' ' HB ' ' A' ' 546' ' ' VAL . 0.1 OUTLIER -105.75 129.57 53.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.312 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.41 114.03 15.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.468 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 94.7 mt -58.85 128.84 39.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.467 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.1 mm-40 -117.22 174.19 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.427 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.65 102.21 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . 0.432 ' OE1' ' OH ' ' A' ' 640' ' ' TYR . 0.8 OUTLIER -61.05 -82.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.035 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -160.23 111.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.852 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.788 0.328 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -96.14 -156.76 31.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.658 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -126.08 138.8 53.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -118.23 127.46 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.227 0.537 . . . . 0.0 111.991 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.534 ' HG ' ' CD1' ' A' ' 562' ' ' ILE . 18.7 tp -79.71 113.68 18.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.339 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.451 HG21 HD11 ' A' ' 544' ' ' ILE . 78.7 t -112.12 135.53 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.255 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 560' ' ' GLY . 0.1 OUTLIER -110.17 139.61 45.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.49 HD23 ' CD2' ' A' ' 625' ' ' LEU . 16.6 mt -122.49 148.56 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.267 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 5.0 tmm? -173.91 118.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.4 t80 -97.08 131.04 44.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.7 78.63 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.931 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.3 p -46.31 -41.86 13.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -45.88 52.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.32 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -86.2 -16.87 36.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.35 39.3 36.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.42 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.3 169.3 33.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.634 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.9 tp -94.6 157.44 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.68 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.4 mm -127.57 117.59 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.67 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.514 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.0 t -104.13 116.81 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 547' ' ' SER . . . -105.88 105.82 2.5 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.403 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.549 HG23 ' CG ' ' A' ' 607' ' ' PHE . 8.3 mm -85.24 106.19 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.534 ' CD1' ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -80.97 -77.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.477 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -156.64 171.24 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 111.71 -179.195 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 7.4 p -130.23 158.36 39.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.23 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.95 154.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.287 0.565 . . . . 0.0 112.387 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.69 41.01 12.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.358 179.346 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.547 HD11 ' CB ' ' A' ' 578' ' ' PRO . 13.6 mt -80.85 155.59 26.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -82.84 165.51 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.361 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.508 ' HB2' ' N ' ' A' ' 575' ' ' TYR . . . -128.42 109.8 11.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.526 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 3.0 mtm -85.64 -25.75 26.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.394 . . . . 0.0 110.811 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.13 151.75 47.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.626 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.49 -5.54 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -84.0 -10.92 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.819 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.59 4.18 64.07 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.353 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.9 m-85 -124.72 -169.63 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 111.992 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.459 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.6 OUTLIER -152.45 178.32 9.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.179 -179.686 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.475 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 11.4 m-20 -124.96 58.46 18.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.547 ' CB ' HD11 ' A' ' 567' ' ' LEU . 34.3 Cg_endo -66.53 144.26 72.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 123.399 2.732 . . . . 0.0 115.289 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.582 ' CE2' ' HD2' ' A' ' 581' ' ' LYS . 17.0 p90 -144.35 160.27 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 113.979 -1.464 . . . . 0.0 107.727 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.536 ' CG2' ' CE2' ' A' ' 607' ' ' PHE . 21.2 t -110.22 128.9 66.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.194 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.582 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.14 130.85 56.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.951 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.519 ' CD2' HD13 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.91 133.7 55.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 -179.041 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.552 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.6 t90 -140.68 115.81 9.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.008 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.2 tp -87.33 105.35 17.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.634 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.427 ' HA ' ' C ' ' A' ' 586' ' ' PRO . 5.7 mtmt -85.33 145.48 42.68 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.963 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 4.4 Cg_exo -75.58 -177.46 20.79 Favored 'Cis proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.639 -1.817 . . . . 0.0 111.809 -0.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.2 104.36 11.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.672 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' MET . . . . . 0.456 ' HE3' ' HB ' ' A' ' 615' ' ' ILE . 51.7 mtm -79.72 -59.15 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.347 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -112.3 2.78 26.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.845 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 1.7 tppt? 87.68 -31.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.783 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -78.13 -0.49 28.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.756 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -46.27 -30.66 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.53 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 17.3 mttt -77.56 163.18 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.592 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 10.7 m-70 -160.07 173.39 15.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.97 0.414 . . . . 0.0 111.715 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 0.0 OUTLIER -158.36 114.7 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.77 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.475 HG22 ' HB ' ' A' ' 580' ' ' VAL . 5.2 p -73.87 176.11 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.384 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -50.05 138.99 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.349 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.579 HG22 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.8 119.73 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.528 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 11.7 mmpt? -90.78 72.94 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.573 ' HE2' ' CE1' ' A' ' 632' ' ' TYR . 2.5 mmtp -64.23 142.97 58.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.609 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.407 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 49.33 65.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.698 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.549 ' CG2' ' HB3' ' A' ' 605' ' ' PRO . 4.3 t -179.96 147.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.834 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.458 ' CA ' ' HB2' ' A' ' 567' ' ' LEU . 15.9 mt -119.07 -12.81 9.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.501 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 12.3 m-80 -130.89 49.73 5.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.549 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 96.9 Cg_endo -78.53 -173.32 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.071 2.514 . . . . 0.0 113.471 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.8 tt0 -132.76 124.97 29.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.346 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.549 ' CG ' HG23 ' A' ' 561' ' ' ILE . 64.7 m-85 -89.41 -58.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 51.35 48.87 22.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.044 0.449 . . . . 0.0 110.21 -179.45 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.463 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.2 mm-40 -108.84 138.2 45.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.052 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 610' ' ' GLU . 16.6 pt-20 -110.35 110.34 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 40.0 m-85 -93.09 171.0 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.266 0.555 . . . . 0.0 112.316 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 558' ' ' ILE . 3.6 t80 -143.73 121.93 12.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.413 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 9.6 m-85 -104.7 153.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.728 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 62.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.004 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.547 HG12 ' HG3' ' A' ' 623' ' ' LYS . 0.8 OUTLIER -127.88 137.7 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 619' ' ' ASP . 0.1 OUTLIER -71.09 130.27 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.492 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.9 t-80 -42.43 -45.18 4.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -24.1 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.531 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 59.1 m-20 -104.15 -27.63 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.545 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -37.05 -66.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.303 179.641 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.552 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -36.56 -51.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.692 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -24.47 66.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.443 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.547 ' HG3' HG12 ' A' ' 615' ' ' ILE . 9.1 mmpt? -62.18 170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.2 p -142.06 103.24 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.344 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.49 ' CD2' HD23 ' A' ' 548' ' ' LEU . 50.6 tp -79.8 116.63 20.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.952 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -106.39 97.81 7.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.472 HG21 ' CG1' ' A' ' 580' ' ' VAL . 3.4 mp -91.32 100.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.479 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 2.2 m -113.36 135.65 53.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.554 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.519 ' CG2' HD23 ' A' ' 675' ' ' LEU . 15.9 t -102.42 124.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.095 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.625 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 54.4 m95 -122.3 146.96 46.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.646 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.526 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.0 OUTLIER -86.12 120.35 27.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.395 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.584 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 26.9 t80 -76.09 161.24 29.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.079 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.584 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.12 128.84 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.69 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -87.3 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -15.79 58.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.423 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.92 -162.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.52 173.66 10.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.16 -171.6 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.1 m-20 -137.35 156.29 48.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.625 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.08 116.28 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.534 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 15.7 mt -95.55 -37.73 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.479 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 149.49 161.0 9.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.418 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.71 -169.77 26.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.787 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 166.3 32.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.817 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.459 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.9 mt-30 -112.48 143.76 43.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.501 HD13 ' NE2' ' A' ' 673' ' ' HIS . 16.7 mt -134.71 88.86 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.05 142.57 13.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.702 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.587 HD12 ' CE2' ' A' ' 659' ' ' TYR . 1.6 tt -59.4 -14.06 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 117.041 0.421 . . . . 0.0 111.383 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.0 t -80.22 1.85 26.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -90.63 176.91 6.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 135.4 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 121.13 -88.15 0.42 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.597 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.32 -43.89 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.2 OUTLIER -49.62 -40.4 39.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.789 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.578 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 12.6 tp -69.96 -48.79 56.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.6 mtmt -45.61 -70.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.139 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.519 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 16.2 t-160 -52.67 -50.61 62.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 63.8 t-105 -61.6 -75.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.587 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -49.15 -61.77 1.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.813 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.532 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.3 pt-20 -41.82 -32.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.193 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 23.6 t -62.41 -44.76 95.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.2 OUTLIER -52.44 -28.51 20.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.512 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 12.1 pttt -83.87 -46.57 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.877 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.512 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 4.2 m-20 -95.47 38.38 1.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.495 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 549' ' ' MET . 1.0 OUTLIER -39.35 -71.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.057 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 667' ' ' LYS . 3.0 p-10 -48.72 -23.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.3 mtpt -94.86 137.39 33.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.519 ' HG2' ' N ' ' A' ' 669' ' ' ILE . 0.9 OUTLIER -82.65 144.56 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.409 -179.556 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.532 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -123.34 157.27 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.476 ' O ' ' NE ' ' A' ' 671' ' ' ARG . 1.0 OUTLIER -154.68 135.85 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.476 ' NE ' ' O ' ' A' ' 670' ' ' GLU . 2.6 mmt180 -154.33 166.16 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.342 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.531 ' NE1' HD12 ' A' ' 545' ' ' LEU . 83.8 m95 -103.22 131.6 50.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.692 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.501 ' NE2' HD13 ' A' ' 646' ' ' LEU . 75.3 m-70 -117.93 130.07 56.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.086 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 34.1 mt-30 -77.25 108.84 10.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.185 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.519 HD23 ' CG2' ' A' ' 629' ' ' VAL . 88.2 mt -49.67 128.78 18.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.375 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 48.1 mt-30 -125.19 159.64 31.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.47 119.68 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.91 -72.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -153.63 100.74 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 2.4 p80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.885 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.526 ' CD ' ' O ' ' A' ' 641' ' ' ILE . 4.6 mmt85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.724 0.297 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 108.97 170.19 20.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.97 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -127.95 137.83 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.471 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -114.37 128.29 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.438 . . . . 0.0 111.651 -179.568 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.583 HD11 ' CG ' ' A' ' 672' ' ' TRP . 17.4 tp -79.51 123.32 27.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.561 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.31 134.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.251 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.533 ' CB ' ' HG3' ' A' ' 670' ' ' GLU . 54.6 p -116.91 111.86 20.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.463 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 55.1 mt -95.41 162.31 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 111.519 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.516 ' SD ' ' CB ' ' A' ' 668' ' ' LYS . 30.3 ttp 175.94 125.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.229 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 59.5 t80 -103.17 130.62 50.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.458 . . . . 0.0 111.322 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.82 76.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.834 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.466 HG21 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -43.01 -38.3 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.4 tp60 -53.78 -54.9 31.68 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.504 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 19.5 mt-30 -75.62 -15.23 60.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.548 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.83 41.45 62.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.65 168.3 33.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.569 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.2 tp -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.584 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.3 mm -125.99 119.38 54.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.532 HG12 ' CD2' ' A' ' 625' ' ' LEU . 2.3 t -105.81 118.17 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.465 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -106.7 110.55 3.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.386 -0.911 . . . . 0.0 113.607 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.526 ' CG2' HG23 ' A' ' 596' ' ' THR . 26.6 mm -90.36 99.16 9.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 607' ' ' PHE . 1.6 mp -79.39 -73.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.3 OUTLIER -159.82 170.84 20.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.256 0.55 . . . . 0.0 112.055 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.49 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 0.8 OUTLIER -127.55 161.84 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.646 178.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.409 HG12 ' CH2' ' A' ' 672' ' ' TRP . 35.2 m -143.59 144.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 112.224 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 60.2 t60 55.29 54.71 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.352 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.526 HD11 ' CB ' ' A' ' 578' ' ' PRO . 22.6 mt -84.05 161.83 20.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.056 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 576' ' ' SER . . . -69.81 149.71 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.492 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.28 116.25 30.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.341 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 6.4 mmt -79.74 -28.69 40.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -84.24 164.95 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.317 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.26 -5.88 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.041 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.1 -12.29 58.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.43 16.15 44.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.671 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.601 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.2 m-85 -124.16 -172.07 2.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.469 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 1.2 m -161.97 179.57 7.91 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.541 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.536 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 5.5 m-20 -123.5 58.75 14.2 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.451 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.526 ' CB ' HD11 ' A' ' 567' ' ' LEU . 42.7 Cg_endo -69.63 152.05 69.9 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 123.377 2.718 . . . . 0.0 115.499 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.584 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 10.6 p90 -149.17 161.84 41.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.456 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.54 HG22 ' CE2' ' A' ' 607' ' ' PHE . 23.6 t -116.35 132.3 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.905 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.591 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.8 mttp -114.62 131.12 56.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.762 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.518 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.07 143.94 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.929 0.395 . . . . 0.0 111.549 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.573 ' CD2' ' HE3' ' A' ' 593' ' ' LYS . 5.3 t90 -151.33 118.42 5.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.102 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.6 tp -90.54 107.73 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.531 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -94.71 159.42 33.49 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.763 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.495 ' HA ' ' HB3' ' A' ' 585' ' ' LYS . 4.4 Cg_exo -77.94 109.82 1.56 Allowed 'Cis proline' 0 N--CA 1.46 -0.485 0 C-N-CA 123.89 -1.296 . . . . 0.0 111.92 -0.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.531 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 1.4 p30 -23.59 128.06 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.929 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -20.39 17.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.31 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -150.85 -138.33 2.83 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.988 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 590' ' ' LYS . 8.1 tptp -123.15 6.72 9.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.824 0.345 . . . . 0.0 110.715 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.97 -2.3 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -62.63 -20.42 64.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.957 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.573 ' HE3' ' CD2' ' A' ' 583' ' ' TRP . 14.6 mmtm -80.0 155.91 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.799 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.599 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 10.5 m-70 -158.25 166.2 32.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.118 0.485 . . . . 0.0 111.667 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.39 117.0 2.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.267 179.448 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.526 HG23 ' CG2' ' A' ' 561' ' ' ILE . 15.1 p -70.18 159.2 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.09 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.52 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 17.3 pt20 -48.02 139.17 8.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.591 HG22 ' CG ' ' A' ' 632' ' ' TYR . 2.2 mm -74.32 124.9 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.551 ' HG2' ' CB ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -104.49 83.85 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.195 0.522 . . . . 0.0 109.896 178.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.578 ' HE2' ' CD1' ' A' ' 632' ' ' TYR . 21.7 mmtp -55.91 155.03 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.058 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 602' ' ' THR . 6.8 mmmt 32.93 76.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.167 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.601 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 3.7 t 179.36 139.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.069 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 574' ' ' GLY . 7.5 mt -113.6 -11.25 13.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -131.94 49.72 4.96 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.556 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 81.7 Cg_endo -78.3 170.88 17.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.911 2.407 . . . . 0.0 113.104 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 2.9 tt0 -121.34 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.473 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.54 ' CE2' HG22 ' A' ' 580' ' ' VAL . 66.8 m-85 -79.63 -52.39 8.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.391 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.2 t-20 50.28 49.14 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 109.961 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 124.76 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.309 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -98.89 108.52 21.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.599 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 30.8 m-85 -91.27 171.67 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.584 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.6 t80 -144.73 123.19 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 8.1 m-85 -103.95 152.29 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.725 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.45 57.91 0.65 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.577 ' CG1' HD22 ' A' ' 620' ' ' LEU . 1.0 OUTLIER -123.78 145.33 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.725 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.476 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.8 OUTLIER -79.79 137.35 36.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.58 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 55.5 t-80 -44.64 -51.24 9.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -17.9 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.239 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.53 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 9.1 m-20 -105.58 -29.14 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.721 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.577 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.2 -65.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.637 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.554 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -38.67 -53.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.873 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -63.23 -14.2 46.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 111.182 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.531 ' HB3' ' CG ' ' A' ' 584' ' ' LEU . 1.3 mmpt? -75.58 179.89 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.276 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.31 104.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.346 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.532 ' CD2' HG12 ' A' ' 559' ' ' VAL . 54.8 tp -79.42 114.37 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -97.47 97.35 9.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 3.6 mp -90.27 106.85 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.73 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 640' ' ' TYR . 88.3 p -117.92 135.95 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.503 ' CG2' HD23 ' A' ' 675' ' ' LEU . 21.3 t -108.2 129.4 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.591 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 28.2 m95 -121.55 147.46 45.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.542 ' OD2' ' CB ' ' A' ' 639' ' ' ASP . 0.7 OUTLIER -90.59 120.84 32.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 0.0 109.904 178.809 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 41.8 t80 -73.88 165.02 25.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.185 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.7 m-20 -159.93 119.12 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.63 131.01 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.46 -3.12 55.53 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 -167.63 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.829 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 37.6 m -97.36 155.35 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -80.43 -170.69 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.542 ' CB ' ' OD2' ' A' ' 631' ' ' ASP . 0.2 OUTLIER -160.12 158.54 30.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 628' ' ' SER . 1.1 t80 -89.76 112.53 23.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.54 ' CG1' ' HB3' ' A' ' 631' ' ' ASP . 60.3 mt -83.35 -56.98 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.479 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 179.85 156.66 18.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.812 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -168.75 -150.37 6.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.431 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 178.48 172.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.411 ' O ' ' HD3' ' A' ' 654' ' ' ARG . 32.6 mt-30 -109.26 137.32 47.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 654' ' ' ARG . 9.3 mt -124.77 89.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.53 148.7 20.24 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.592 HD12 ' CE2' ' A' ' 659' ' ' TYR . 0.9 OUTLIER -60.86 -11.74 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 111.591 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -88.21 14.26 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.159 0.504 . . . . 0.0 109.785 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -95.44 156.81 16.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.427 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -131.67 130.77 42.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.615 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.82 -70.69 0.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 656' ' ' LYS . 2.0 mt-10 -153.95 -41.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.57 0.224 . . . . 0.0 111.565 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 1.6 mtt85 -49.64 -34.43 18.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.586 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 25.0 tp -62.82 -33.33 74.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.7 mtpp -64.75 -59.3 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.587 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 6.8 t-160 -57.45 -53.28 59.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.193 0.52 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.9 t-105 -60.02 -79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.592 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -39.71 -61.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.949 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.539 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.4 pt-20 -42.92 -33.78 0.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.097 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.503 ' HA ' ' CD1' ' A' ' 669' ' ' ILE . 31.3 t -58.98 -41.31 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.545 ' O ' ' CD ' ' A' ' 665' ' ' LYS . 0.5 OUTLIER -59.77 -24.43 64.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.888 178.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -39.2 16.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.901 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.507 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.2 m-20 -106.69 58.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.642 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.545 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.7 OUTLIER -49.98 -82.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.507 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 6.4 mttm -82.88 125.41 31.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.63 118.58 21.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.575 HG23 ' CD2' ' A' ' 657' ' ' HIS . 0.7 OUTLIER -92.03 158.68 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.802 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.533 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 4.0 mt-10 -156.07 134.47 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.587 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -165.73 158.34 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.583 ' CG ' HD11 ' A' ' 545' ' ' LEU . 84.2 m95 -97.03 132.28 43.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.515 ' ND1' ' HD2' ' A' ' 671' ' ' ARG . 88.1 m-70 -110.73 129.59 55.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.762 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.59 104.85 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.375 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.503 HD23 ' CG2' ' A' ' 629' ' ' VAL . 92.8 mt -53.98 128.71 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.223 0.535 . . . . 0.0 111.443 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -120.23 159.48 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.649 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.5 110.89 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 640' ' ' TYR . 2.5 tt0 -91.02 -57.62 2.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -130.88 135.83 48.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.921 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.525 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 110.82 175.54 20.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.655 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -132.75 135.86 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.467 HG13 HG23 ' A' ' 580' ' ' VAL . 0.1 OUTLIER -112.76 129.44 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -179.638 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.537 HD12 ' NE1' ' A' ' 672' ' ' TRP . 20.5 tp -79.56 114.98 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.215 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.465 HG23 HG22 ' A' ' 627' ' ' ILE . 77.4 t -114.76 130.33 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.494 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.5 OUTLIER -112.23 136.71 51.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.304 179.317 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.6 mt -118.97 163.13 17.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.503 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.8 tmm? 174.26 125.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.489 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 48.5 t80 -105.24 133.9 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 0.0 110.892 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.12 85.34 2.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.472 HG23 ' HD2' ' A' ' 665' ' ' LYS . 1.2 p -49.73 -39.89 38.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.025 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -49.3 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.978 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.02 -17.17 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.426 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.86 41.0 56.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -158.47 163.42 32.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.696 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.501 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.1 tp -88.89 157.94 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.649 0.261 . . . . 0.0 110.731 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.557 HD12 ' CE1' ' A' ' 612' ' ' PHE . 0.8 OUTLIER -127.97 120.38 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.029 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 1.6 t -108.35 122.55 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.67 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -112.18 114.02 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.387 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.527 ' CD1' ' CD2' ' A' ' 582' ' ' LEU . 35.7 mm -93.45 98.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.53 ' CD1' ' HG ' ' A' ' 545' ' ' LEU . 2.8 mp -73.94 -73.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 3.2 ptm180 -164.04 171.63 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.184 0.516 . . . . 0.0 112.013 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.524 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 0.8 OUTLIER -124.18 161.5 25.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.948 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.566 HG12 ' CH2' ' A' ' 672' ' ' TRP . 34.4 m -142.7 145.71 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.139 0.495 . . . . 0.0 112.198 -179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.525 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.1 t-80 49.58 57.67 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.056 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.524 HD11 ' CB ' ' A' ' 578' ' ' PRO . 15.3 mt -84.01 162.55 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -74.32 145.59 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.501 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -107.31 113.13 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.491 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 16.5 mmt -83.19 -25.74 31.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.794 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -84.29 154.58 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.75 27.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -80.81 -6.34 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 87.21 9.56 72.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.0 m-85 -123.29 -168.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.823 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.435 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.4 OUTLIER -160.02 178.59 9.55 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.067 0.461 . . . . 0.0 111.473 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.525 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.0 m-20 -121.25 58.37 7.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.524 ' CB ' HD11 ' A' ' 567' ' ' LEU . 32.7 Cg_endo -66.24 143.98 72.94 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.403 2.735 . . . . 0.0 115.504 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 29.3 p90 -146.08 162.03 38.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 113.791 -1.549 . . . . 0.0 107.464 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.578 HG22 ' CE2' ' A' ' 607' ' ' PHE . 25.0 t -116.5 129.96 72.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.723 -178.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.7 OUTLIER -112.74 130.95 55.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.417 178.798 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.527 ' CD2' ' CD1' ' A' ' 561' ' ' ILE . 0.0 OUTLIER -118.99 138.62 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.633 -178.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.579 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.9 t90 -147.09 118.02 7.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 15.5 tp -92.84 108.95 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.458 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 13.8 mtmt -82.62 157.92 66.48 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.775 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.511 ' HD3' ' NZ ' ' A' ' 623' ' ' LYS . 8.5 Cg_endo -88.83 114.71 2.72 Favored 'Cis proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.804 -1.332 . . . . 0.0 111.866 -0.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 586' ' ' PRO . 4.9 p-10 -21.01 110.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.738 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -92.14 -41.54 10.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.801 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -125.13 -2.2 7.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.29 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER 89.13 -32.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 0.0 110.696 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 590' ' ' LYS . 0.0 OUTLIER -65.25 -16.28 63.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.093 0.473 . . . . 0.0 110.501 179.41 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -45.28 -24.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.579 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 34.1 mttt -81.5 157.8 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.794 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' A' ' 593' ' ' LYS . 16.8 m-70 -157.14 176.62 12.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.109 0.48 . . . . 0.0 111.457 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.465 ' O ' ' HD3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 125.21 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.101 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.462 HG22 ' HB ' ' A' ' 580' ' ' VAL . 4.0 p -81.42 160.19 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 111.012 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.98 149.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.551 HG22 ' CB ' ' A' ' 632' ' ' TYR . 1.2 mm -87.64 128.01 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.516 ' HG2' ' CB ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -104.97 63.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 109.893 179.354 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.525 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.0 OUTLIER -50.45 137.81 18.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.108 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.48 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 66.15 62.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.406 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 4.3 t 176.93 145.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 11.1 mt -115.81 -14.61 11.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.753 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -123.02 43.86 0.83 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 55.4 Cg_endo -71.74 173.44 12.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.967 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 74.8 tt0 -121.47 119.54 32.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.379 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.578 ' CE2' HG22 ' A' ' 580' ' ' VAL . 46.7 m-85 -88.6 -58.57 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.407 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.4 OUTLIER 50.22 47.94 22.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 110.103 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.444 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.6 mm-40 -106.15 130.74 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.265 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -105.64 112.02 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 41.0 m-85 -95.85 174.84 6.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.164 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.557 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.7 t80 -147.41 125.35 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.163 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.6 m-85 -105.0 157.14 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.816 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.09 64.83 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.573 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.9 OUTLIER -132.23 140.35 47.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.738 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 619' ' ' ASP . 23.7 mmtt -74.63 131.72 41.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.538 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.521 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 42.2 t-80 -42.52 -43.9 3.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.9 -24.79 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.527 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 74.3 m-20 -101.81 -29.19 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.573 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -34.85 -66.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.573 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.553 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -36.15 -57.1 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.792 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -20.44 62.84 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.84 0.352 . . . . 0.0 111.286 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 620' ' ' LEU . 0.4 OUTLIER -65.49 172.06 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.765 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.86 104.67 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.189 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.447 HD23 HG12 ' A' ' 559' ' ' VAL . 23.1 tp -79.02 144.08 35.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 1.8 t70 -129.71 97.37 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.497 HG21 ' CG1' ' A' ' 580' ' ' VAL . 2.0 mp -92.27 97.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.376 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.47 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 90.7 p -110.3 130.68 55.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.642 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.505 ' CG2' HD23 ' A' ' 675' ' ' LEU . 6.8 t -101.67 125.25 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.125 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.637 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 52.2 m95 -122.73 146.78 47.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.549 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.491 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -84.72 113.06 21.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.113 0.483 . . . . 0.0 110.147 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 38.1 t80 -69.44 164.28 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.496 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.22 125.93 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.485 ' N ' HD11 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -89.01 133.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.58 -17.97 32.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.376 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -132.26 -165.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.2 OUTLIER -87.14 175.87 7.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -99.06 -176.92 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.783 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.464 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 21.1 m-20 -138.35 154.47 48.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.637 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.45 107.56 19.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.406 HD11 ' HB3' ' A' ' 578' ' ' PRO . 71.4 mt -83.18 -38.16 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.481 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 147.84 161.47 9.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.535 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.4 -171.35 27.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.585 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . 0.534 ' SG ' ' CG ' ' A' ' 673' ' ' HIS . 16.4 p -153.31 154.36 34.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.471 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.2 mt-30 -105.85 136.35 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.43 HD23 ' CE1' ' A' ' 673' ' ' HIS . 12.2 mt -125.35 93.71 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.999 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.55 150.12 20.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.841 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.607 ' HA ' ' CD1' ' A' ' 655' ' ' LEU . 1.3 tt -65.56 -9.47 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 121.009 0.433 . . . . 0.0 111.342 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.1 t -91.94 15.07 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.14 0.495 . . . . 0.0 109.814 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 654' ' ' ARG . . . -91.88 -171.87 3.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.361 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -146.12 134.93 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.7 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . 0.422 ' C ' ' OE2' ' A' ' 653' ' ' GLU . . . 104.77 -102.19 2.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.679 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 652' ' ' GLY . 3.4 mm-40 -108.77 -44.46 4.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.471 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.3 mtt-85 -42.22 -27.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.763 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.607 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 24.4 tp -86.33 -45.83 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 3.2 pttp -57.08 -57.36 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.585 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 19.0 t-160 -57.58 -55.03 40.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 44.6 t-105 -61.47 -64.71 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.158 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.593 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -53.58 -62.35 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.788 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.494 ' HA ' ' HG3' ' A' ' 663' ' ' LYS . 0.0 OUTLIER -42.96 -29.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.063 -179.274 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 660' ' ' GLU . 12.4 t -62.18 -45.22 94.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.3 OUTLIER -55.61 -30.23 60.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.811 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.494 ' HG3' ' HA ' ' A' ' 660' ' ' GLU . 7.1 mtpt -79.94 -46.97 15.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.367 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.461 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 1.2 m-20 -99.05 42.69 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.666 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.521 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -42.32 -69.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.623 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -21.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.127 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.8 mmtm -94.53 138.1 32.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.482 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -86.22 132.0 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.474 -179.645 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 548' ' ' LEU . 0.4 OUTLIER -113.21 149.7 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.352 179.447 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 670' ' ' GLU . 0.8 OUTLIER -152.18 148.83 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.233 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.51 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.68 166.32 8.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.878 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.566 ' CH2' HG12 ' A' ' 565' ' ' VAL . 92.3 m95 -98.98 131.12 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.534 ' CG ' ' SG ' ' A' ' 644' ' ' CYS . 79.2 m-70 -110.02 131.38 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.67 103.05 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.505 HD23 ' CG2' ' A' ' 629' ' ' VAL . 86.3 mt -48.08 130.64 15.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.36 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -124.63 166.27 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.69 122.4 43.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.788 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -98.17 -79.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -90.19 -166.32 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.999 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.863 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 6.0 mtt85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.666 0.269 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 143.99 169.52 12.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.579 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -126.4 140.81 52.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.0 110.399 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.478 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -120.56 128.67 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.98 0.419 . . . . 0.0 111.79 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.538 HD11 ' CG ' ' A' ' 672' ' ' TRP . 18.9 tp -79.87 124.18 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.328 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 56.0 t -126.58 137.64 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.57 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' A' ' 670' ' ' GLU . 27.3 p -119.07 121.92 40.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.14 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 658' ' ' TRP . 13.2 mt -101.84 163.36 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 111.625 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.514 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.5 ttp 175.39 128.62 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.614 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.526 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 58.4 t80 -108.17 131.51 54.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.25 82.81 2.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.441 HG23 ' HD3' ' A' ' 665' ' ' LYS . 1.2 p -47.3 -36.63 9.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . 0.517 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.3 tp60 -54.55 -57.05 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.375 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . 0.517 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 4.4 mm-40 -73.09 -15.82 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.423 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.5 41.88 65.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.526 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.91 171.15 33.79 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.572 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.524 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 10.1 tp -96.14 160.78 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.1 mm -130.03 121.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.533 ' CG1' HD21 ' A' ' 582' ' ' LEU . 3.0 t -111.24 122.06 65.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.814 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -112.16 123.29 6.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.43 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.522 ' CD1' HD23 ' A' ' 582' ' ' LEU . 10.0 mm -103.52 96.46 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.524 ' CB ' HD21 ' A' ' 545' ' ' LEU . 3.0 mp -72.04 -75.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.349 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 2.7 ptm180 -155.85 175.65 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.905 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.532 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 1.3 p -131.36 160.54 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.507 HG12 ' CH2' ' A' ' 672' ' ' TRP . 35.7 m -143.51 145.74 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 112.316 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.511 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 55.06 59.41 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.282 179.46 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.54 HD11 ' CB ' ' A' ' 578' ' ' PRO . 19.0 mt -90.61 146.79 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.58 149.92 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -103.88 116.53 32.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.476 ' HG3' ' HB2' ' A' ' 639' ' ' ASP . 10.0 mmt -82.66 -23.95 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -88.75 158.6 18.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.11 -1.04 18.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -84.05 -12.64 54.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.705 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 96.82 3.2 59.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.24 -169.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 111.885 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.471 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 1.0 OUTLIER -157.46 179.55 9.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.419 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 599' ' ' LYS . 0.7 OUTLIER -126.74 57.67 23.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.194 179.196 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.54 ' CB ' HD11 ' A' ' 567' ' ' LEU . 37.1 Cg_endo -66.72 149.26 83.72 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.467 2.778 . . . . 0.0 115.242 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.1 p90 -146.15 160.14 42.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.04 -1.436 . . . . 0.0 107.837 177.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.543 HG22 ' CE2' ' A' ' 607' ' ' PHE . 17.4 t -111.56 134.77 52.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.035 -0.666 . . . . 0.0 112.63 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 594' ' ' HIS . 6.2 mttm -117.41 141.3 48.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.751 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.579 HD12 ' CD1' ' A' ' 611' ' ' PHE . 0.1 OUTLIER -125.9 132.54 52.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.385 -178.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.574 ' CD1' ' CD ' ' A' ' 585' ' ' LYS . 2.6 t90 -132.4 126.72 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.261 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.587 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 12.2 tp -113.28 114.04 26.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.095 0.474 . . . . 0.0 110.807 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.574 ' CD ' ' CD1' ' A' ' 583' ' ' TRP . 0.0 OUTLIER -90.58 153.56 45.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.976 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.405 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 2.9 Cg_exo -76.23 179.26 31.71 Favored 'Cis proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.644 -1.815 . . . . 0.0 111.642 -0.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.82 102.25 10.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.799 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER -86.91 -32.42 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.85 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -133.03 -3.23 3.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.818 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 4.6 tmtt? 87.14 -35.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.659 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -71.98 -5.94 38.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.543 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -37.62 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.655 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 582' ' ' LEU . 0.0 OUTLIER -83.57 154.14 23.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.501 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 581' ' ' LYS . 15.2 m-70 -146.82 179.54 7.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.258 0.551 . . . . 0.0 112.047 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 120.81 2.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.916 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.535 HG21 ' CE1' ' A' ' 611' ' ' PHE . 1.7 p -80.8 174.71 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.212 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . 0.464 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 24.1 pt20 -47.68 153.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.659 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.571 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -88.19 128.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.54 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -96.72 70.89 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.15 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.462 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 6.0 mmmm -51.62 146.01 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.078 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.429 ' HG2' ' C ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 31.03 74.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.976 179.311 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.556 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 2.2 t -177.74 143.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.798 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 567' ' ' LEU . 11.9 mt -117.32 -13.12 10.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.484 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 56.4 m-80 -130.52 50.61 6.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.564 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.541 ' CG ' HG22 ' A' ' 602' ' ' THR . 91.0 Cg_endo -80.23 -172.67 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.88 2.387 . . . . 0.0 112.906 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.2 OUTLIER -134.76 117.06 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.368 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 580' ' ' VAL . 71.9 m-85 -81.49 -58.95 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 561' ' ' ILE . 4.7 t30 54.46 47.07 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.127 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.411 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.7 mm-40 -108.21 134.35 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.218 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -109.98 112.7 24.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.579 ' CD1' HD12 ' A' ' 582' ' ' LEU . 47.9 m-85 -94.1 172.55 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.284 0.564 . . . . 0.0 112.22 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.9 t80 -144.74 121.75 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.121 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.587 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.1 155.38 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -110.21 64.16 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.538 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.9 OUTLIER -129.44 146.86 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.795 179.594 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.51 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.7 OUTLIER -78.84 136.19 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.516 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 54.7 t-80 -46.64 -45.51 19.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -22.83 35.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.531 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 60.6 m-20 -102.49 -29.44 11.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.296 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 623' ' ' LYS . 0.0 OUTLIER -34.84 -67.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 179.693 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.554 ' CB ' HD11 ' A' ' 648' ' ' ILE . . . -34.82 -57.4 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.178 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -62.3 -19.69 63.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.61 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 620' ' ' LEU . 7.3 mmpt? -65.79 164.78 14.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.935 0.398 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.72 102.35 4.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.581 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 37.6 tp -80.08 129.11 34.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.914 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . 0.481 ' HB2' ' NZ ' ' A' ' 585' ' ' LYS . 34.3 t70 -109.49 94.0 4.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.201 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.447 ' CD1' ' CD1' ' A' ' 646' ' ' LEU . 1.9 mp -86.94 102.42 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.322 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.48 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 1.3 m -119.17 143.78 47.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.073 0.464 . . . . 0.0 111.862 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.512 ' CG2' HD23 ' A' ' 675' ' ' LEU . 18.4 t -112.33 119.52 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.258 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 49.3 m95 -118.03 146.44 44.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 111.486 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.462 ' OD1' ' HG3' ' A' ' 570' ' ' MET . 0.0 OUTLIER -84.35 118.73 24.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 24.1 t80 -69.76 163.84 24.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -157.47 130.93 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.756 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.69 139.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.271 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 636' ' ' LYS . . . 83.04 -15.47 32.75 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.724 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 635' ' ' GLY . 0.0 OUTLIER -143.82 -163.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 3.5 m -79.97 -172.3 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.794 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.76 -167.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.476 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 1.1 m-20 -139.32 156.86 46.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.616 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -94.56 115.13 27.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 86.2 mt -95.39 -42.59 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.485 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 156.36 157.84 8.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -155.46 -167.3 16.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.72 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 12.8 p -157.49 142.27 16.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.477 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 37.6 mt-30 -93.79 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 625' ' ' LEU . 14.5 mt -134.12 90.02 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 0.0 111.523 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.67 135.23 7.7 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.642 ' CD1' ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -53.58 -20.73 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 116.981 0.39 . . . . 0.0 111.518 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 17.4 t -73.91 -2.77 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -79.93 -179.85 7.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.364 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -149.45 134.95 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.771 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 119.92 -86.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.71 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 656' ' ' LYS . 0.9 OUTLIER -128.28 -48.28 1.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 111.168 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.477 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.9 OUTLIER -41.83 -27.86 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.584 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 21.9 tp -79.55 -42.28 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 68.0 mttm -56.15 -50.68 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.558 ' CD2' ' HB ' ' A' ' 669' ' ' ILE . 13.8 t-160 -69.68 -63.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.516 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 47.4 t-105 -47.76 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.801 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.642 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.5 OUTLIER -35.67 -55.09 0.71 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.392 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.468 ' HB3' HD11 ' A' ' 669' ' ' ILE . 6.2 mm-40 -38.19 -45.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.015 0.436 . . . . 0.0 110.531 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 549' ' ' MET . 18.9 t -48.55 -37.16 17.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.375 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 659' ' ' TYR . 1.1 mp -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.933 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.454 ' HG2' ' OE1' ' A' ' 660' ' ' GLU . 2.5 pttt -74.83 -36.36 62.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.393 0.616 . . . . 0.0 109.427 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 667' ' ' LYS . 1.2 m-20 -112.28 66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.6 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.516 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 2.5 mptt -55.4 -75.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -53.11 -18.7 2.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 664' ' ' ASN . 8.0 mttm -96.17 140.61 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -92.98 145.61 24.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.518 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.558 ' HB ' ' CD2' ' A' ' 657' ' ' HIS . 0.6 OUTLIER -117.26 108.53 25.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.255 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.478 ' HG2' ' HB3' ' A' ' 547' ' ' SER . 4.6 mt-10 -105.94 140.27 39.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 672' ' ' TRP . 0.0 OUTLIER -172.62 160.36 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.12 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.538 ' CG ' HD11 ' A' ' 545' ' ' LEU . 85.8 m95 -94.15 141.96 27.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.304 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.42 ' CE1' ' HD2' ' A' ' 671' ' ' ARG . 40.3 m-70 -120.1 131.77 55.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.35 102.15 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.512 HD23 ' CG2' ' A' ' 629' ' ' VAL . 82.0 mt -48.93 132.81 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.312 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -123.5 163.06 21.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.47 104.31 16.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.947 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -82.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 680' ' ' HIS . 28.7 t-20 -110.46 157.37 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . 0.518 ' N ' ' OD1' ' A' ' 679' ' ' ASN . 54.8 t60 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.467 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.703 0.287 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 122.16 179.02 15.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.676 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.422 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 8.4 mtmm -140.86 136.21 32.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.643 0.259 . . . . 0.0 110.343 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.478 HG13 HG23 ' A' ' 580' ' ' VAL . 0.0 OUTLIER -113.68 127.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.721 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.581 HD11 ' CG ' ' A' ' 672' ' ' TRP . 16.9 tp -79.6 123.18 27.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.417 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.02 136.6 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.531 ' CB ' ' HG3' ' A' ' 670' ' ' GLU . 1.9 p -114.84 118.15 32.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.29 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 549' ' ' MET . 9.8 mt -102.47 157.99 16.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.013 0.435 . . . . 0.0 111.393 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.497 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.0 tmm? 175.72 126.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 617' ' ' HIS . 52.1 t80 -105.36 128.97 53.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.868 0.366 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.14 96.32 7.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.833 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.467 HG21 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -62.64 -36.84 84.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 109.824 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -49.81 -44.13 49.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.791 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -16.23 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.148 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.84 41.35 49.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -152.62 169.18 31.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.562 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.526 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.1 tp -93.76 160.13 14.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.714 0.293 . . . . 0.0 110.56 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.572 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -130.08 123.05 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 11.1 t -113.35 119.63 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.551 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -111.75 115.23 3.81 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.532 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.52 HG13 ' CG2' ' A' ' 596' ' ' THR . 42.2 mm -92.61 96.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 607' ' ' PHE . 2.5 mp -71.09 -73.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.16 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 1.5 ptm180 -161.68 175.07 12.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 111.792 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 5.6 p -129.57 159.34 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.903 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . 0.487 HG12 ' CH2' ' A' ' 672' ' ' TRP . 33.4 m -142.24 145.98 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.192 0.52 . . . . 0.0 112.315 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER 55.12 54.06 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.299 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 578' ' ' PRO . 11.7 mt -84.62 146.0 27.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.04 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -65.95 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.327 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.508 ' HB2' ' N ' ' A' ' 575' ' ' TYR . . . -117.63 110.09 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.978 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.537 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 2.3 mtm -86.12 -25.66 25.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -67.46 150.68 48.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.629 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.58 -6.79 21.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -83.98 -9.34 58.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.506 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 90.85 7.59 66.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.296 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.9 m-85 -125.88 -169.43 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 0.0 111.992 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.467 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 1.0 OUTLIER -153.5 -179.78 8.08 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.118 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.509 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 3.5 m-20 -125.55 56.83 15.64 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.534 ' CB ' HD11 ' A' ' 567' ' ' LEU . 30.5 Cg_endo -64.55 145.45 87.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.651 2.901 . . . . 0.0 115.733 -177.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.592 ' CE2' ' HD2' ' A' ' 581' ' ' LYS . 19.1 p90 -146.18 159.47 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.633 177.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.486 ' HB ' ' CG2' ' A' ' 596' ' ' THR . 21.2 t -110.92 131.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.429 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.592 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.3 OUTLIER -116.75 130.35 56.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.864 179.204 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -122.3 136.52 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.698 -178.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.533 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.8 t90 -143.74 118.33 9.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 15.0 tp -93.99 111.24 22.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.523 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -96.34 161.58 26.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.183 179.536 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.517 ' HA ' ' HB3' ' A' ' 585' ' ' LYS . 3.4 Cg_exo -77.5 108.82 1.24 Allowed 'Cis proline' 0 N--CA 1.46 -0.464 0 C-N-CA 124.14 -1.191 . . . . 0.0 112.18 0.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.523 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 9.0 p-10 -22.31 109.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.946 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' MET . . . . . 0.468 ' HE3' ' HB ' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -91.22 -18.97 23.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.287 179.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.3 -143.07 4.21 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.051 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.32 -3.69 7.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 0.0 110.854 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -106.69 8.62 31.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -62.04 -22.3 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.524 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 14.0 mttt -92.72 159.76 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 30.8 m-70 -154.12 173.73 15.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.051 0.453 . . . . 0.0 111.603 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -158.99 108.12 1.92 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.078 179.361 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.52 ' CG2' HG13 ' A' ' 561' ' ' ILE . 10.3 p -63.48 159.81 17.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.953 0.406 . . . . 0.0 111.091 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -42.73 143.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.314 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.57 HG22 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.61 120.87 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.113 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.527 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 12.1 mmtt -91.3 77.31 5.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.12 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.467 ' HA ' ' OD2' ' A' ' 577' ' ' ASP . 11.8 mmtm -59.31 151.24 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.738 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 600' ' ' LYS . 0.2 OUTLIER 31.98 69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.882 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.531 HG22 ' CG ' ' A' ' 605' ' ' PRO . 2.9 t -177.7 144.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.924 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 567' ' ' LEU . 15.7 mt -119.67 -12.38 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.563 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.9 m-80 -128.23 45.56 1.73 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.51 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 73.3 Cg_endo -74.52 -178.84 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.907 2.405 . . . . 0.0 112.813 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 29.6 tt0 -126.24 118.2 24.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.39 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.514 ' CG ' HG23 ' A' ' 561' ' ' ILE . 67.1 m-85 -83.63 -59.9 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.2 t-20 52.46 45.05 29.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.269 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.465 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 15.4 mm-40 -107.15 127.77 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.155 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.95 113.81 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 52.4 m-85 -95.62 173.05 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 112.148 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.6 t80 -144.02 121.14 11.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.236 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 7.6 m-85 -102.63 153.27 20.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.638 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.426 ' C ' ' HE2' ' A' ' 588' ' ' MET . 1.1 m-20 -109.97 60.67 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 -179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.572 ' CG1' HD22 ' A' ' 620' ' ' LEU . 1.0 OUTLIER -124.09 137.42 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.7 132.68 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 550' ' ' TYR . 44.1 t-80 -45.4 -46.03 13.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' SER . . . . . 0.474 ' O ' ' HE3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -59.27 -15.57 16.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.254 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.533 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 86.0 m-20 -105.3 -28.99 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.578 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.572 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.19 -66.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.71 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.564 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -42.61 -41.59 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.474 ' HE3' ' O ' ' A' ' 618' ' ' SER . 0.0 OUTLIER -70.63 -14.08 62.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 111.22 -179.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.524 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 5.3 mmpt? -81.93 -177.0 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.408 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.79 105.04 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.173 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 43.4 tp -79.17 118.42 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 9.3 t0 -106.62 99.26 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.514 ' CD1' HD13 ' A' ' 646' ' ' LEU . 2.3 mp -93.31 106.3 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.471 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 59.8 p -117.72 131.74 56.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.5 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.527 ' CG2' HD23 ' A' ' 675' ' ' LEU . 11.9 t -101.31 128.15 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.323 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.585 ' CZ3' ' HB2' ' A' ' 640' ' ' TYR . 53.7 m95 -122.83 141.97 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.537 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 1.2 t0 -85.28 106.79 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.423 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 33.7 t80 -57.91 164.21 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.322 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -160.28 126.74 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.408 ' N ' HD11 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -87.52 136.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -21.85 28.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -170.96 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.2 p -80.06 148.98 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -56.42 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 78.7 m-20 -141.46 150.97 42.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.67 116.96 29.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.813 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 631' ' ' ASP . 69.4 mt -95.61 -43.36 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.473 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 154.57 161.64 10.64 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.573 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.83 -165.31 18.5 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.638 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.86 156.1 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.469 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 12.6 pt20 -102.09 141.99 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.55 HD23 ' CE1' ' A' ' 673' ' ' HIS . 14.1 mt -129.53 89.97 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.36 143.3 14.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.702 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.588 HD12 ' CE2' ' A' ' 659' ' ' TYR . 0.8 OUTLIER -60.13 -12.26 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.882 0.341 . . . . 0.0 111.663 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 34.2 t -87.1 13.04 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 109.984 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -96.04 175.57 6.43 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.25 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -140.8 134.16 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 117.22 -90.15 0.5 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.613 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -125.06 -46.16 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.7 OUTLIER -43.26 -27.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.616 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.586 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 26.5 tp -83.27 -47.95 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 10.9 mttt -51.34 -63.88 0.99 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.466 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 14.5 t-160 -54.36 -53.09 58.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.459 . . . . 0.0 110.809 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 58.8 t-105 -60.45 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.588 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.38 -60.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.056 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.544 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.5 pt-20 -42.89 -34.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.064 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 34.0 t -56.69 -41.65 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.54 ' O ' ' CD ' ' A' ' 665' ' ' LYS . 0.6 OUTLIER -60.63 -25.69 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.936 178.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.38 17.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.812 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.518 ' ND2' ' HD3' ' A' ' 667' ' ' LYS . 5.4 m-20 -106.27 59.32 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.666 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 2.7 mppt? -49.7 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 3.7 p30 -48.95 -21.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.387 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.518 ' HD3' ' ND2' ' A' ' 664' ' ' ASN . 39.2 mttt -86.21 130.19 34.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.757 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.468 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 0.2 OUTLIER -79.95 153.99 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.47 . . . . 0.0 111.494 -179.529 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.7 OUTLIER -126.78 159.37 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.315 179.362 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.531 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 0.0 OUTLIER -158.81 125.51 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.429 ' HG2' ' C ' ' A' ' 670' ' ' GLU . 0.6 OUTLIER -153.69 163.78 39.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.518 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.581 ' CG ' HD11 ' A' ' 545' ' ' LEU . 84.9 m95 -102.61 132.35 48.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.68 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.55 ' CE1' HD23 ' A' ' 646' ' ' LEU . 87.1 m-70 -113.91 131.19 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.422 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 1.4 pt20 -79.28 103.33 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.527 HD23 ' CG2' ' A' ' 629' ' ' VAL . 80.0 mt -44.41 130.67 6.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.249 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.7 mt-30 -127.5 160.69 30.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.46 134.37 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . 0.506 ' HG3' ' N ' ' A' ' 679' ' ' ASN . 0.2 OUTLIER -71.46 -55.75 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . 0.506 ' N ' ' HG3' ' A' ' 678' ' ' GLU . 0.4 OUTLIER -135.99 -84.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.879 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 2.7 mpt_? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.811 0.339 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 108.69 175.93 21.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.639 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.83 137.65 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.658 0.266 . . . . 0.0 110.416 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -114.34 129.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.657 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 672' ' ' TRP . 18.7 tp -79.64 123.73 27.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 89.7 t -121.68 131.46 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.667 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 92.6 p -113.15 121.67 45.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.908 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.518 ' CB ' ' SG ' ' A' ' 661' ' ' CYS . 4.5 mt -101.68 167.99 9.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.878 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.534 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER 171.44 132.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.322 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 50.7 t80 -111.51 138.72 47.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.106 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.61 97.82 6.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.617 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.48 HG21 ' HD2' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.74 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 0.0 110.15 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -43.99 51.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.109 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -92.28 -19.12 22.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.39 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.56 39.72 29.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.493 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -149.62 169.48 29.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.705 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.54 ' HA ' ' CD1' ' A' ' 550' ' ' TYR . 6.7 tp -95.6 162.08 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.705 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.566 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -130.04 123.48 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.99 0.424 . . . . 0.0 111.035 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.51 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 7.3 t -114.2 119.27 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.828 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.27 117.49 4.72 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.403 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.518 ' CD1' HD22 ' A' ' 582' ' ' LEU . 49.2 mm -95.35 97.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.528 ' CB ' HD22 ' A' ' 545' ' ' LEU . 2.5 mp -71.76 -74.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.3 OUTLIER -159.57 176.45 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 112.02 -178.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 7.4 p -131.36 159.13 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.934 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.87 145.05 23.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 112.277 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 3.8 t60 56.65 59.17 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.549 HD11 ' CB ' ' A' ' 578' ' ' PRO . 12.2 mt -90.12 161.53 15.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.449 ' HB2' ' HE2' ' A' ' 570' ' ' MET . . . -80.11 152.09 29.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.511 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -117.86 109.43 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.783 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.53 ' SD ' ' CB ' ' A' ' 631' ' ' ASP . 0.0 OUTLIER -79.06 -31.31 44.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.366 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -67.04 150.09 49.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.78 -5.75 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -82.9 -11.32 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.511 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.84 5.59 59.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.61 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.533 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -124.53 -169.33 1.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 112.154 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.476 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.6 OUTLIER -157.11 176.27 12.96 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.406 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 599' ' ' LYS . 28.9 m-20 -120.41 58.4 6.09 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.549 ' CB ' HD11 ' A' ' 567' ' ' LEU . 30.2 Cg_endo -64.66 136.86 51.69 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 123.518 2.812 . . . . 0.0 115.347 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 17.5 p90 -135.76 161.13 36.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.832 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 607' ' ' PHE . 24.7 t -113.65 138.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.721 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.4 mttp -117.3 148.52 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.626 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.518 HD22 ' CD1' ' A' ' 561' ' ' ILE . 0.0 OUTLIER -136.81 132.15 34.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.9 0.381 . . . . 0.0 111.3 -179.465 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.549 ' CD1' ' HB2' ' A' ' 592' ' ' ALA . 4.1 t90 -142.2 118.33 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.188 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.572 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 13.9 tp -97.22 109.06 21.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.915 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.535 ' CG ' ' OG ' ' A' ' 624' ' ' SER . 8.3 ptmt -82.93 150.83 62.71 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.215 0.531 . . . . 0.0 111.062 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.425 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 3.2 Cg_exo -75.78 -178.69 24.49 Favored 'Cis proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.638 -1.818 . . . . 0.0 111.656 -0.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.04 111.47 12.65 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.79 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -79.86 -40.44 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -139.55 6.06 2.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.611 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER 87.09 -20.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -90.89 6.22 45.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.753 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.549 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . -49.22 -29.12 5.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.538 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 42.0 mttt -76.6 151.35 36.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 593' ' ' LYS . 13.1 m-70 -144.93 -178.69 6.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.206 0.526 . . . . 0.0 111.639 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.25 130.66 5.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.156 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.474 HG22 ' HB ' ' A' ' 580' ' ' VAL . 4.5 p -90.46 167.34 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -45.05 149.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.709 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.583 HG23 ' CG ' ' A' ' 632' ' ' TYR . 10.5 mm -84.38 125.33 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.51 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.528 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 6.9 mmpt? -92.5 75.14 5.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.524 ' CE ' HD13 ' A' ' 634' ' ' ILE . 28.3 mmtm -52.36 143.84 14.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.045 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 32.16 74.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.883 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.545 ' CG2' ' HB3' ' A' ' 605' ' ' PRO . 3.0 t -178.09 145.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 15.1 mt -118.86 -12.58 9.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 38.7 m-80 -127.82 46.18 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 604' ' ' ASN . 71.1 Cg_endo -74.66 -178.89 4.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.969 2.446 . . . . 0.0 113.29 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.476 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.9 tt0 -127.25 118.15 23.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.401 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 580' ' ' VAL . 67.2 m-85 -85.28 -60.75 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.226 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 561' ' ' ILE . 13.0 t-20 53.82 46.47 25.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.029 0.443 . . . . 0.0 110.21 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.466 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.4 OUTLIER -107.39 127.89 53.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.235 -179.543 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.94 114.4 28.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.51 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 44.4 m-85 -95.61 174.45 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.288 0.566 . . . . 0.0 112.039 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.566 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.2 t80 -144.47 119.21 9.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.243 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.572 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.0 m-85 -100.56 151.91 21.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.655 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.45 67.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.217 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.579 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.8 OUTLIER -131.89 142.32 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 619' ' ' ASP . 19.9 mtmt -72.37 129.96 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.584 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 47.0 t-80 -42.73 -47.22 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' SER . . . . . 0.424 ' O ' ' HE2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -54.68 -22.72 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.539 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 20.5 m-20 -101.09 -28.83 12.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.579 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.63 -67.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.687 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.563 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -39.86 -48.68 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.508 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.46 -15.97 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -179.177 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.532 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 5.8 mmpt? -76.72 173.78 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.11 0.481 . . . . 0.0 111.374 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' SER . . . . . 0.535 ' OG ' ' CG ' ' A' ' 585' ' ' LYS . 0.4 OUTLIER -150.38 109.42 3.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.043 178.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 15.5 tp -79.81 149.79 30.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.875 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.04 95.05 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.008 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.502 HG21 ' CG1' ' A' ' 580' ' ' VAL . 2.8 mp -87.93 101.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.443 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.461 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.7 m -112.6 136.62 51.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.531 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.517 ' CG2' HD23 ' A' ' 675' ' ' LEU . 14.0 t -108.95 125.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.347 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.8 m95 -123.69 149.61 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.718 0.294 . . . . 0.0 111.735 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.53 ' CB ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -83.74 109.04 17.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.851 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 28.6 t80 -69.93 161.63 29.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.428 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.603 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.16 130.39 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.47 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.524 HD13 ' CE ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER -89.49 134.06 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 111.289 -179.814 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.78 40.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.61 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -168.89 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.958 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 15.0 m -81.05 -162.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -117.61 -164.1 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -158.19 138.17 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 9.3 t80 -79.51 121.2 24.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.884 0.374 . . . . 0.0 111.184 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 50.5 mt -96.9 -35.39 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.69 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.461 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 147.45 159.74 8.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.693 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.469 ' HA2' HD21 ' A' ' 675' ' ' LEU . . . -167.11 -165.04 23.85 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.404 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.1 m -161.83 178.51 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -124.6 142.67 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.756 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 673' ' ' HIS . 12.0 mt -128.82 103.17 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -148.96 145.03 12.92 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.754 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.624 ' N ' ' CD1' ' A' ' 658' ' ' TRP . 1.0 OUTLIER -57.36 -14.75 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 120.915 0.388 . . . . 0.0 111.568 -179.421 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 47.8 t -81.1 5.29 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.092 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -89.21 168.56 12.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.399 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -143.5 132.86 23.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.641 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 653' ' ' GLU . . . 127.83 -79.77 0.37 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.794 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.426 ' HG2' ' C ' ' A' ' 652' ' ' GLY . 0.9 OUTLIER -138.32 -40.68 0.52 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.525 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -40.52 62.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 24.9 tp -60.04 -35.52 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 3.1 mtpp -63.31 -50.44 70.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.525 ' ND1' ' HG2' ' A' ' 671' ' ' ARG . 22.7 t-160 -65.69 -62.55 1.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.267 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -50.22 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.236 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.588 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.08 -64.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.737 -179.641 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.528 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.5 pt-20 -42.25 -31.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.472 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.518 ' SG ' ' CB ' ' A' ' 548' ' ' LEU . 76.1 m -57.35 -42.68 82.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 659' ' ' TYR . 1.2 mp -60.6 -28.95 68.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.144 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.524 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 10.9 pttt -83.19 -47.02 12.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.979 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.524 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 92.6 m-20 -106.19 58.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.488 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.584 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.5 OUTLIER -57.62 -73.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.165 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.23 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.779 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.46 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.0 OUTLIER -98.82 137.09 37.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 110.814 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.534 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.08 142.01 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.528 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.2 OUTLIER -109.26 168.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.423 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.45 ' OE2' HG12 ' A' ' 562' ' ' ILE . 0.6 OUTLIER -158.13 135.8 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.398 . . . . 0.0 111.201 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.525 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -163.89 156.45 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.935 179.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.576 ' CD1' HD11 ' A' ' 545' ' ' LEU . 81.2 m95 -96.72 135.37 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.559 ' CE1' HD23 ' A' ' 646' ' ' LEU . 94.0 m-70 -115.31 130.17 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 111.99 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.517 HD23 ' CG2' ' A' ' 629' ' ' VAL . 74.0 mt -59.28 136.12 57.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -126.52 162.06 26.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.655 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.27 70.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -93.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -159.5 -41.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.864 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 566' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.834 0.349 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -133.47 -178.25 15.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.763 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -126.6 137.97 53.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.469 HG13 HG23 ' A' ' 580' ' ' VAL . 0.0 OUTLIER -116.6 126.66 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.077 0.465 . . . . 0.0 111.821 -179.458 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.586 HD11 ' CG ' ' A' ' 672' ' ' TRP . 17.5 tp -79.66 125.74 30.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.359 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 54.2 t -123.21 140.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.365 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 560' ' ' GLY . 37.4 t -116.93 143.86 45.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.239 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.484 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 81.7 mt -128.6 160.95 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.117 0.484 . . . . 0.0 111.787 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.528 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 2.4 tmm? 175.95 107.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 54.9 t80 -83.25 130.9 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.494 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.19 90.61 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.854 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.529 ' CG2' ' HD2' ' A' ' 665' ' ' LYS . 1.1 p -54.87 -38.07 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 0.0 110.361 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -46.27 56.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.66 -16.03 33.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.592 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.29 58.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.509 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.23 172.75 32.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.547 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 613' ' ' TYR . 7.0 tp -102.36 134.33 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 111.06 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.59 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.3 mm -105.03 116.86 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.508 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 1.5 t -98.41 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.038 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -136.66 107.32 0.6 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.94 -1.124 . . . . 0.0 113.704 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.524 ' CD1' HD23 ' A' ' 582' ' ' LEU . 12.4 mm -86.59 97.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 607' ' ' PHE . 2.1 mp -75.98 -77.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.2 OUTLIER -155.66 170.24 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.058 0.456 . . . . 0.0 111.617 -179.064 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 2.4 p -127.53 158.73 36.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.08 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.9 m -143.22 144.37 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.228 0.537 . . . . 0.0 112.232 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 62.37 50.85 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.331 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.538 HD11 ' CB ' ' A' ' 578' ' ' PRO . 10.9 mt -86.27 141.97 28.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.183 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.99 156.38 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.496 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.28 115.55 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.493 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.3 mmt -83.85 -22.62 31.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.811 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.83 157.65 18.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.02 -2.9 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -11.27 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.23 7.0 59.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.578 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.41 -168.8 1.74 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.758 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.524 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 1.2 m -158.74 -179.36 7.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.346 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.461 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 1.7 m-20 -126.55 56.95 18.6 Favored Pre-proline 0 C--N 1.33 -0.239 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.538 ' CB ' HD11 ' A' ' 567' ' ' LEU . 37.0 Cg_endo -66.89 144.97 72.85 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.57 2.847 . . . . 0.0 115.539 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 13.1 p90 -142.46 161.04 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.498 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 595' ' ' LYS . 16.7 t -113.58 137.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.589 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.0 mttp -116.19 133.06 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.641 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 611' ' ' PHE . 0.0 OUTLIER -119.78 136.35 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 111.512 -178.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.576 ' CD1' ' HB2' ' A' ' 592' ' ' ALA . 3.4 t90 -145.57 115.05 7.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.582 ' HB3' ' CE2' ' A' ' 613' ' ' TYR . 13.2 tp -92.5 113.72 26.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.685 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -116.61 160.28 37.01 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.495 ' O ' ' NZ ' ' A' ' 623' ' ' LYS . 53.3 Cg_endo -69.12 108.45 0.76 Allowed 'Cis proline' 0 C--N 1.349 0.578 0 C-N-CA 123.978 -1.259 . . . . 0.0 112.096 0.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.685 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 1.3 p-10 -55.28 140.61 38.63 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.673 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -16.13 56.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.86 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -147.51 -177.32 21.87 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.697 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -94.7 25.03 4.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -123.14 6.51 9.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . -62.58 -19.39 63.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.131 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -77.87 138.72 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.484 ' O ' ' HB3' ' A' ' 581' ' ' LYS . 5.0 m-70 -132.61 178.65 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.48 128.9 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.477 HG22 ' HB ' ' A' ' 580' ' ' VAL . 1.5 p -87.9 168.83 12.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.996 0.426 . . . . 0.0 111.155 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -44.69 156.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.576 HG22 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -89.83 125.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -94.19 72.42 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 109.748 179.058 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.461 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 8.6 mmtp -57.97 148.99 24.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.011 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.425 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.4 mmtm 38.55 69.48 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.211 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.581 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 2.9 t 179.09 142.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.835 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.524 ' CD2' ' HB2' ' A' ' 576' ' ' SER . 9.9 mt -117.18 -11.73 10.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.535 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.4 m-80 -128.65 47.43 2.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.545 ' CG ' HG22 ' A' ' 602' ' ' THR . 98.7 Cg_endo -79.26 -177.08 3.63 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.872 2.381 . . . . 0.0 113.093 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 13.3 tt0 -132.07 114.84 15.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.287 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 599' ' ' LYS . 67.6 m-85 -80.02 -50.34 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.488 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.4 p-10 46.15 50.32 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 0.0 110.255 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.467 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.8 mm-40 -110.04 136.85 48.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.124 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -109.53 115.67 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 582' ' ' LEU . 38.9 m-85 -97.04 176.91 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.247 0.546 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.59 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.3 t80 -144.81 126.44 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.598 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.582 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 9.8 m-85 -108.71 155.36 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -111.51 61.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.909 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.585 ' CG1' HD22 ' A' ' 620' ' ' LEU . 1.1 tp -125.25 142.98 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -71.8 135.33 46.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.59 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 29.6 t-80 -46.69 -49.26 19.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.361 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -12.19 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.608 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.542 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 5.1 m-20 -106.7 -27.07 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.61 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.585 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.2 OUTLIER -36.25 -67.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.379 179.328 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.567 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -41.87 -40.48 2.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.633 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -15.41 63.41 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.548 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -90.22 179.92 5.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.711 -179.51 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 585' ' ' LYS . 0.7 OUTLIER -150.82 111.7 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 42.9 tp -79.46 114.0 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -98.04 105.27 17.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.476 HG21 ' CG1' ' A' ' 580' ' ' VAL . 3.2 mp -95.89 108.73 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.474 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 70.9 m -115.26 147.67 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.523 ' CG2' HD23 ' A' ' 675' ' ' LEU . 17.2 t -123.23 120.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.649 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.589 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 37.7 m95 -119.14 144.46 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.516 -179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.493 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -84.41 114.06 21.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.031 0.444 . . . . 0.0 110.426 179.233 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 28.4 t80 -70.54 162.4 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.281 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -160.0 126.28 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.718 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.417 HD11 HG22 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -87.69 135.3 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 111.212 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.89 -15.39 32.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.666 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 -165.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.45 158.55 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -164.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.464 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 5.3 m-20 -160.25 141.05 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 6.2 t80 -80.0 123.87 28.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.208 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 27.2 mt -102.05 -36.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.482 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.477 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 144.67 160.06 8.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.61 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -153.94 -161.09 10.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.58 153.81 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.458 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 1.5 pt20 -106.72 137.8 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.554 ' CD1' ' NE2' ' A' ' 673' ' ' HIS . 13.4 mt -124.17 89.9 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.16 143.54 15.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.907 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.587 HD12 ' CE2' ' A' ' 659' ' ' TYR . 0.9 OUTLIER -57.36 -13.93 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 120.826 0.346 . . . . 0.0 111.848 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 38.9 t -88.49 15.62 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.036 0.446 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -94.85 -171.95 2.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.464 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.82 135.93 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.723 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 107.81 -106.75 2.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.569 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.35 -40.21 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.991 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.458 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.8 OUTLIER -45.81 -26.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.584 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 20.2 tp -88.23 -42.42 12.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.092 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 42.1 mttt -55.49 -57.33 12.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.484 ' NE2' ' HG ' ' A' ' 548' ' ' LEU . 17.8 t-160 -59.56 -55.56 32.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 110.976 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 66.5 t-105 -59.01 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.278 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.587 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -40.1 -63.99 0.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 656' ' ' LYS . 7.7 pt-20 -43.41 -32.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.299 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 14.0 t -60.21 -38.65 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.658 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.6 OUTLIER -61.62 -28.97 69.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.059 179.013 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -39.76 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.872 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.531 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.5 m-20 -104.68 48.67 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.59 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 21.8 mtmt -36.4 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . 0.439 ' O ' ' SD ' ' A' ' 549' ' ' MET . 3.3 t0 -45.33 -24.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.531 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 2.0 mmmm -81.13 134.71 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.528 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.18 158.37 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 0.0 111.501 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.523 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.7 OUTLIER -139.18 155.97 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.41 179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.509 ' CG ' ' HB2' ' A' ' 547' ' ' SER . 21.8 mt-10 -153.16 132.21 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 0.0 111.075 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.471 ' HG3' ' HB2' ' A' ' 657' ' ' HIS . 2.4 mmt-85 -153.79 168.5 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.369 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.586 ' CG ' HD11 ' A' ' 545' ' ' LEU . 81.8 m95 -105.64 133.01 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.763 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.554 ' NE2' ' CD1' ' A' ' 646' ' ' LEU . 48.0 m-70 -115.43 129.02 56.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.3 115.1 16.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.523 HD23 ' CG2' ' A' ' 629' ' ' VAL . 69.8 mt -58.59 134.47 56.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -126.87 160.13 31.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -100.81 74.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -49.32 -55.4 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -123.99 162.24 23.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.967 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.895 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -79.47 -157.24 12.19 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.668 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -124.75 138.6 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.616 0.246 . . . . 0.0 110.437 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.488 HG13 HG23 ' A' ' 580' ' ' VAL . 0.0 OUTLIER -116.53 131.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.078 0.466 . . . . 0.0 111.695 -179.59 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.582 HD11 ' CD2' ' A' ' 672' ' ' TRP . 14.6 tp -86.87 121.49 29.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 55.7 t -121.68 132.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.503 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 82.6 p -113.58 122.07 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.539 ' CD1' ' HA ' ' A' ' 658' ' ' TRP . 19.3 mt -95.73 165.82 12.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.487 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.541 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 1.3 ttp 173.61 119.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.065 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 53.3 t80 -102.64 136.56 42.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.004 0.431 . . . . 0.0 111.245 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.9 97.14 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.744 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.521 ' CG2' ' CD ' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.91 -34.71 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.122 0.487 . . . . 0.0 110.084 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.03 -42.45 28.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.052 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -97.23 -19.82 18.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.585 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 79.29 38.41 21.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.379 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.533 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -146.43 169.03 27.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.511 ' HA ' ' CD1' ' A' ' 550' ' ' TYR . 8.0 tp -95.78 159.0 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.756 0.312 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.3 mm -129.02 118.53 46.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.525 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 11.3 t -106.03 120.59 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.755 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -107.56 123.16 7.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.278 -0.963 . . . . 0.0 113.433 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.527 ' CD1' HD23 ' A' ' 582' ' ' LEU . 11.8 mm -100.95 95.47 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.522 ' CD1' ' HG ' ' A' ' 545' ' ' LEU . 1.8 mp -72.09 -76.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -159.03 167.65 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 111.914 -179.006 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 1.8 p -124.57 159.84 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.849 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.28 148.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.285 0.564 . . . . 0.0 112.482 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.523 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 63.71 44.29 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.49 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' ' 578' ' ' PRO . 36.8 mt -84.15 155.21 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -79.19 157.19 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.35 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.503 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -119.76 108.85 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.526 ' HE2' ' CB ' ' A' ' 631' ' ' ASP . 2.3 mtm -87.21 -23.88 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.016 0.436 . . . . 0.0 110.689 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.91 157.78 29.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.88 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.27 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.47 -5.28 43.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.984 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.503 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 89.58 6.45 70.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.287 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.495 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -124.73 -169.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 111.866 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.518 ' HB2' ' CD2' ' A' ' 603' ' ' LEU . 0.4 OUTLIER -154.04 171.91 18.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.306 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.527 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.5 m-20 -119.01 60.53 4.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.542 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 35.7 Cg_endo -66.69 143.16 66.8 Favored 'Trans proline' 0 CA--C 1.526 0.081 0 C-N-CA 123.41 2.74 . . . . 0.0 115.195 -177.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.0 p90 -143.55 160.67 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.068 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.517 HG22 ' CE2' ' A' ' 607' ' ' PHE . 19.7 t -112.92 131.23 65.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.754 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 2.0 mttm -114.44 130.6 56.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.269 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.527 HD23 ' CD1' ' A' ' 561' ' ' ILE . 0.1 OUTLIER -116.24 140.66 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 111.827 -178.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.545 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.8 t90 -148.61 114.39 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.117 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.595 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.3 tp -91.21 120.28 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.586 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.527 ' HA ' ' C ' ' A' ' 586' ' ' PRO . 2.3 mttp -103.6 179.89 0.88 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.341 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.576 ' O ' ' CB ' ' A' ' 587' ' ' ASP . 52.1 Cg_exo -53.05 -53.48 0.12 OUTLIER 'Cis proline' 0 C--N 1.348 0.545 0 C-N-CA 123.324 -1.532 . . . . 0.0 112.212 -0.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER 152.14 129.69 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.155 179.032 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.78 -23.62 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.526 178.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.455 ' O ' ' OD2' ' A' ' 587' ' ' ASP . . . -154.71 -171.66 21.72 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.444 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.502 ' C ' ' CD ' ' A' ' 590' ' ' LYS . 0.0 OUTLIER -95.93 5.05 52.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.965 0.383 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . 0.46 ' HG3' ' HD3' ' A' ' 590' ' ' LYS . 0.4 OUTLIER -99.93 -7.06 25.68 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.035 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.542 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . -49.43 -28.95 5.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 8.0 mptt -76.06 164.38 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 5.6 m-70 -160.17 172.81 16.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.164 0.507 . . . . 0.0 111.905 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.64 123.72 3.36 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.838 179.336 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.493 HG21 ' CE1' ' A' ' 611' ' ' PHE . 1.5 p -86.17 174.04 9.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.996 0.427 . . . . 0.0 111.406 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -47.3 141.67 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.676 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.602 HG23 ' CG ' ' A' ' 632' ' ' TYR . 2.8 mm -78.46 124.12 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.508 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.531 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -93.25 71.39 4.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.869 179.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.2 OUTLIER -66.29 141.93 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.656 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.435 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 56.53 62.65 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.664 179.42 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.55 ' CG2' ' HB3' ' A' ' 605' ' ' PRO . 5.3 t 178.46 148.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.962 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.518 ' CD2' ' HB2' ' A' ' 576' ' ' SER . 16.9 mt -118.53 -13.17 9.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.486 ' ND2' ' N ' ' A' ' 604' ' ' ASN . 0.0 OUTLIER -133.74 52.03 7.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.55 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 74.0 Cg_endo -77.93 -172.91 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.945 2.43 . . . . 0.0 113.238 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.471 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 33.9 tt0 -131.27 119.32 21.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.367 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.555 ' CE2' ' SG ' ' A' ' 564' ' ' CYS . 69.3 m-85 -85.35 -53.41 5.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.395 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.7 OUTLIER 48.37 50.71 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.171 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.472 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.2 mt-10 -110.91 139.88 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.224 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 29.8 m-85 -90.4 172.28 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.889 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.3 t80 -142.9 121.17 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.526 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.595 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.8 m-85 -102.86 154.01 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -108.14 65.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.588 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.8 OUTLIER -131.79 143.91 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.453 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -75.13 134.55 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.565 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 43.0 t-80 -45.42 -44.04 11.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -21.72 58.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.522 ' CB ' HD12 ' A' ' 615' ' ' ILE . 58.3 m-20 -102.36 -29.26 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.588 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.56 -67.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.557 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -39.3 -52.19 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.686 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . 0.51 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -64.16 -15.62 60.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.263 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.521 ' CE ' HD12 ' A' ' 615' ' ' ILE . 0.2 OUTLIER -71.5 -179.57 2.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.659 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' SER . . . . . 0.418 ' N ' HD13 ' A' ' 584' ' ' LEU . 54.3 p -154.9 104.63 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.316 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 646' ' ' LEU . 62.7 tp -80.42 122.26 26.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.21 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -108.04 97.37 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 646' ' ' LEU . 2.4 mp -91.72 112.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.484 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 10.3 m -124.66 139.47 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 111.361 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.519 ' CG2' HD23 ' A' ' 675' ' ' LEU . 4.0 t -108.47 129.59 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.598 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 48.1 m95 -126.32 151.16 47.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 111.259 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.526 ' CB ' ' HE2' ' A' ' 570' ' ' MET . 0.3 OUTLIER -87.92 133.21 33.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.132 0.491 . . . . 0.0 110.598 179.502 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.602 ' CG ' HG23 ' A' ' 598' ' ' ILE . 19.0 t80 -89.07 148.65 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.964 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.481 ' CB ' ' HB2' ' A' ' 636' ' ' LYS . 50.7 m-20 -155.18 106.27 2.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.95 128.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.211 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.75 -7.37 50.11 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.76 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . 0.481 ' HB2' ' CB ' ' A' ' 633' ' ' ASP . 5.1 mmtt -106.35 175.63 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.059 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 15.7 m -96.61 30.91 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . 0.461 ' OD1' ' HA ' ' A' ' 632' ' ' TYR . 90.7 m-20 62.0 -176.8 0.13 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 631' ' ' ASP . 2.9 m-20 -144.79 154.58 42.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.204 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.598 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.19 119.35 32.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.69 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 64.3 mt -99.36 -38.85 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.473 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 151.75 160.46 9.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.45 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.484 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.14 -168.36 23.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.664 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.03 12.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.461 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 3.5 pt20 -120.27 156.67 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 625' ' ' LEU . 47.6 mt -146.76 94.3 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.08 137.71 9.02 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.645 ' CD1' ' CD2' ' A' ' 659' ' ' TYR . 1.2 tt -52.44 -19.03 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 120.825 0.345 . . . . 0.0 111.764 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 26.0 t -74.54 -1.85 23.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 0.0 110.334 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -84.06 -168.58 2.21 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.405 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 135.87 21.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.756 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 96.12 -115.66 5.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.554 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 656' ' ' LYS . 4.3 tt0 -79.84 -54.04 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.485 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 2.3 mmt85 -41.0 -29.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.457 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.573 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 25.3 tp -89.93 -62.11 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.533 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 1.7 ptpt -42.42 -52.95 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.082 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.639 ' CD2' ' CG ' ' A' ' 671' ' ' ARG . 6.3 t-80 -63.61 -62.02 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.65 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 55.7 t-105 -55.13 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.993 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.645 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.5 OUTLIER -31.18 -57.67 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.939 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.498 ' OE1' ' CD ' ' A' ' 663' ' ' LYS . 25.3 mm-40 -38.03 -48.87 1.24 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.165 0.507 . . . . 0.0 110.342 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 33.6 t -43.31 -37.25 2.16 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.26 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.516 ' N ' ' O ' ' A' ' 659' ' ' TYR . 1.6 mp -71.4 -35.69 71.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.751 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.498 ' CD ' ' OE1' ' A' ' 660' ' ' GLU . 0.2 OUTLIER -79.38 -36.66 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.938 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.542 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.6 m-20 -108.66 48.95 0.83 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.565 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 3.4 mtmt -36.22 -81.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -50.92 -20.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.542 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 3.0 mmtt -88.16 158.29 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.465 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.1 OUTLIER -105.06 143.85 32.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 0.0 111.671 -179.436 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.56 HG23 ' CD2' ' A' ' 657' ' ' HIS . 1.2 mm -123.66 92.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.113 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.503 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 10.3 pm0 -103.58 133.67 48.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 111.819 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.639 ' CG ' ' CD2' ' A' ' 657' ' ' HIS . 15.5 mmt180 -152.25 178.84 9.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.208 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.582 ' CD2' HD11 ' A' ' 545' ' ' LEU . 87.6 m95 -110.64 131.94 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.51 ' NE2' HD13 ' A' ' 646' ' ' LEU . 4.4 m-70 -115.41 129.68 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.33 102.23 5.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.519 HD23 ' CG2' ' A' ' 629' ' ' VAL . 88.2 mt -45.33 130.45 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.453 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 66.9 mt-30 -119.64 174.41 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.635 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -106.39 102.57 11.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.24 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.998 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.98 138.42 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -77.62 -162.24 17.31 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.727 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -124.29 143.42 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -120.16 128.12 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.055 0.455 . . . . 0.0 112.006 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.559 HD11 ' CG ' ' A' ' 672' ' ' TRP . 17.3 tp -79.53 116.07 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 544' ' ' ILE . 64.2 t -117.26 129.79 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.726 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.6 OUTLIER -106.8 147.86 29.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.109 179.187 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 549' ' ' MET . 26.2 mt -130.06 161.77 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 111.728 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 558' ' ' ILE . 13.5 ttp 174.85 133.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.099 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.525 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 48.0 t80 -109.85 132.53 54.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 111.44 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.25 79.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.891 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.432 HG21 ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -45.89 -41.41 11.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.202 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -46.11 54.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.136 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.64 -19.26 33.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.07 39.42 32.48 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.357 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.525 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.64 168.25 33.75 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.743 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.521 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 10.1 tp -93.67 161.6 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.582 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.2 mm -129.96 119.2 46.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.964 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.489 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 1.7 t -107.01 120.47 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -106.32 109.63 3.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.376 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.528 ' CD1' HD22 ' A' ' 582' ' ' LEU . 3.7 mm -87.92 98.01 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.529 ' CB ' HD22 ' A' ' 545' ' ' LEU . 2.0 mp -75.5 -78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.066 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.476 ' HG2' HG23 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -158.7 170.83 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.42 . . . . 0.0 112.042 -178.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.8 p -128.42 160.55 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.947 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.78 150.07 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 60.95 43.34 11.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.507 179.233 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.54 HD11 ' CB ' ' A' ' 578' ' ' PRO . 66.3 mt -81.48 162.8 23.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.68 163.32 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.495 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -116.41 118.46 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.051 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -84.28 -21.33 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.75 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -91.42 159.07 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.71 -1.35 18.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 -12.47 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.719 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.6 4.81 60.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.62 -169.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 111.874 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.471 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.8 OUTLIER -159.55 176.91 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.452 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 632' ' ' TYR . 2.6 m-20 -119.92 57.17 4.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.54 ' CB ' HD11 ' A' ' 567' ' ' LEU . 29.8 Cg_endo -64.63 138.51 59.39 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 123.318 2.679 . . . . 0.0 115.342 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 10.0 p90 -137.7 162.44 33.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.364 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.567 HG22 ' CE2' ' A' ' 607' ' ' PHE . 20.4 t -113.5 129.26 69.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.599 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.3 mttp -111.61 130.07 55.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.913 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' A' ' 561' ' ' ILE . 0.0 OUTLIER -121.75 136.34 54.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 0.0 111.695 -179.088 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.579 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 3.3 t90 -142.78 119.37 11.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.672 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 19.1 tp -90.63 110.86 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.977 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.461 ' HG3' ' OG ' ' A' ' 624' ' ' SER . 1.8 mttp -89.9 157.91 45.4 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.747 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.502 ' O ' ' C ' ' A' ' 587' ' ' ASP . 72.3 Cg_endo -89.91 108.21 0.87 Allowed 'Cis proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.359 -1.517 . . . . 0.0 112.055 -0.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 587' ' ' ASP . 10.2 p-10 -13.25 111.24 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.277 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -27.39 10.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.701 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -113.43 -11.73 12.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.404 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 31.6 mttm 86.15 -33.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.583 0.23 . . . . 0.0 111.153 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -85.03 11.03 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.947 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -57.5 -23.98 53.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.579 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 2.8 mmtp -69.61 155.41 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.501 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 7.5 m-70 -156.62 170.2 22.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -161.07 119.0 2.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.401 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.475 HG21 ' O ' ' A' ' 580' ' ' VAL . 19.4 p -69.61 176.52 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.42 146.54 53.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.228 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.575 HG23 ' CG ' ' A' ' 632' ' ' TYR . 4.3 mm -78.35 122.55 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.517 ' O ' ' CG2' ' A' ' 602' ' ' THR . 3.6 mmpt? -94.97 62.73 2.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.288 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.542 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 31.5 mmtm -35.02 146.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.2 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 601' ' ' LYS . 0.0 OUTLIER 35.95 79.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.392 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.565 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 3.0 t 177.77 144.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.078 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 9.7 mt -117.7 -12.23 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -133.47 51.73 7.26 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.543 ' CG ' HG22 ' A' ' 602' ' ' THR . 97.0 Cg_endo -78.65 177.16 9.06 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.918 2.412 . . . . 0.0 113.277 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.468 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 29.8 tt0 -125.58 112.56 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.264 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.567 ' CE2' HG22 ' A' ' 580' ' ' VAL . 58.3 m-85 -79.91 -58.1 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.354 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 561' ' ' ILE . 26.3 t-20 54.2 47.34 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.096 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.438 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.5 mm-40 -106.86 136.34 46.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.295 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.95 108.33 19.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.461 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 21.1 m-85 -90.13 172.05 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.985 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.582 ' CE1' HD12 ' A' ' 558' ' ' ILE . 4.5 t80 -144.77 122.79 12.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.625 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 8.2 m-85 -104.44 149.74 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 614' ' ' ASP . 3.8 p-10 -104.93 51.16 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.773 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.583 ' CG2' ' CD2' ' A' ' 620' ' ' LEU . 0.9 OUTLIER -115.18 142.59 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.939 0.4 . . . . 0.0 110.741 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -72.66 139.23 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.573 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.574 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 50.9 t-80 -49.13 -47.16 45.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 1.3 m -59.5 -13.44 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.532 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 18.4 m-20 -108.53 -30.17 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.583 ' CD2' ' CG2' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.08 -65.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.559 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -38.17 -55.26 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.648 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.18 52.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.303 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.53 ' HD2' ' CD1' ' A' ' 615' ' ' ILE . 10.8 mmpt? -69.76 -178.58 1.55 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.148 0.499 . . . . 0.0 111.161 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' SER . . . . . 0.461 ' OG ' ' HG3' ' A' ' 585' ' ' LYS . 52.4 p -158.19 103.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.185 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 646' ' ' LEU . 57.1 tp -80.93 123.28 28.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.191 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -109.25 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.524 HG21 ' CG1' ' A' ' 580' ' ' VAL . 1.4 mp -91.01 104.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.492 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 0.3 OUTLIER -118.27 145.0 45.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.516 ' CG2' HD23 ' A' ' 675' ' ' LEU . 6.1 t -111.58 127.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.743 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.585 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 31.7 m95 -121.77 147.14 46.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.492 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -84.33 114.66 22.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 109.9 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.575 ' CG ' HG23 ' A' ' 598' ' ' ILE . 40.3 t80 -75.74 162.1 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.444 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.571 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 37.8 m-20 -160.52 125.13 3.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.798 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . 0.457 HD11 ' HE3' ' A' ' 600' ' ' LYS . 0.0 OUTLIER -82.72 134.07 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 91.59 -17.93 54.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.797 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.36 -166.42 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -79.8 -167.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . 0.423 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 4.5 m120 -107.19 -168.62 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.5 m-20 -152.58 141.37 21.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -85.59 118.1 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.046 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.469 HD13 ' HB3' ' A' ' 578' ' ' PRO . 61.4 mt -93.89 -39.87 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 154.23 159.68 9.35 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.145 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.72 -170.57 23.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.894 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.75 173.07 14.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.738 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . 0.459 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 14.1 pt20 -122.95 146.07 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.509 HD23 ' CE1' ' A' ' 673' ' ' HIS . 19.3 mt -138.41 93.94 2.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.31 136.31 7.39 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.589 HD12 ' CE2' ' A' ' 659' ' ' TYR . 1.2 tt -51.67 -19.3 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 120.798 0.332 . . . . 0.0 111.589 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 46.8 t -73.46 -3.75 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.255 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 651' ' ' LYS . . . -81.9 -167.66 1.62 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 650' ' ' ALA . 14.3 mtpt -157.13 131.07 8.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 114.15 -106.17 1.67 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.443 ' HG3' ' HE3' ' A' ' 656' ' ' LYS . 24.6 mp0 -97.7 -47.44 5.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.966 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.459 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.0 OUTLIER -47.79 -29.19 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.563 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 22.0 tp -82.53 -46.47 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.56 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 5.4 ptpt -54.21 -55.67 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.56 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 19.6 t-160 -60.43 -58.19 9.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.109 0.48 . . . . 0.0 110.611 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.571 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.6 t-105 -59.71 -80.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.589 ' CE2' HD12 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -37.45 -65.98 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.32 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.553 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -43.4 -31.67 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.204 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 18.7 t -58.97 -41.3 87.23 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.518 ' N ' ' O ' ' A' ' 659' ' ' TYR . 0.5 OUTLIER -58.68 -36.23 73.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.928 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 660' ' ' GLU . 11.8 mtmt -79.98 -45.25 18.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.372 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.493 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 30.6 m-20 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.311 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.574 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 2.9 mttt -52.5 -88.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.788 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -36.53 -28.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.817 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.3 mmtp -80.99 128.55 33.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.885 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.44 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.5 OUTLIER -81.18 125.9 30.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.661 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.553 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.9 OUTLIER -106.13 152.67 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.79 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.481 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.1 OUTLIER -151.88 147.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.142 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.553 ' HD2' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -169.54 156.3 6.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.886 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.559 ' CG ' HD11 ' A' ' 545' ' ' LEU . 86.0 m95 -91.9 131.96 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.32 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.553 ' CE1' ' HD2' ' A' ' 671' ' ' ARG . 86.5 m-70 -113.06 130.01 56.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 5.8 pm0 -77.32 103.25 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.688 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.516 HD23 ' CG2' ' A' ' 629' ' ' VAL . 85.8 mt -45.86 129.63 9.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.356 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 63.6 mt-30 -125.87 160.32 30.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -101.75 101.04 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . 0.443 ' HA ' ' OE1' ' A' ' 678' ' ' GLU . 6.1 mm-40 -56.91 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 680' ' ' HIS . 5.8 p-10 -97.73 -7.51 30.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.045 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 679' ' ' ASN . 18.0 m80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 13.1 mtp180 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.782 0.325 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 111.71 174.14 19.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.8 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 564' ' ' CYS . 11.1 mtmt -133.09 142.89 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -117.79 124.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.567 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' LEU . . . . . 0.534 HD12 ' NE1' ' A' ' 672' ' ' TRP . 19.8 tp -79.81 123.54 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 65.2 t -123.08 138.6 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' SER . . . . . 0.473 ' HB2' ' HG3' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -116.03 126.78 54.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.389 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' LEU . . . . . 0.533 ' CD1' ' HA ' ' A' ' 658' ' ' TRP . 12.1 mt -105.94 152.25 23.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.973 0.416 . . . . 0.0 111.194 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.528 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 3.0 ttp -173.59 124.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' TYR . . . . . 0.516 ' CD2' ' HG2' ' A' ' 665' ' ' LYS . 44.5 t80 -103.78 131.63 50.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.64 82.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' THR . . . . . 0.526 ' CG2' ' HD2' ' A' ' 665' ' ' LYS . 1.3 p -47.02 -40.91 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.012 0.434 . . . . 0.0 110.157 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -49.54 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.727 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -17.72 51.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.286 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.54 40.79 53.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.408 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' GLY . . . . . 0.512 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.5 176.89 33.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.59 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.7 tp -100.36 158.68 15.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.808 0.337 . . . . 0.0 110.686 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.575 HD12 ' CE1' ' A' ' 612' ' ' PHE . 1.1 mm -127.68 121.25 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' VAL . . . . . 0.545 HG22 ' CE1' ' A' ' 613' ' ' TYR . 2.2 t -108.29 124.89 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.621 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -115.04 119.35 4.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.559 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 608' ' ' ASN . 38.5 mm -95.8 99.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.532 ' CB ' HD22 ' A' ' 545' ' ' LEU . 2.9 mp -77.64 -75.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' ARG . . . . . 0.52 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 1.0 OUTLIER -159.73 166.24 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.926 -178.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' CYS . . . . . 0.477 ' SG ' ' CE2' ' A' ' 607' ' ' PHE . 0.8 OUTLIER -122.0 161.31 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.847 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.27 145.14 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 67.74 45.54 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.403 179.409 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' LEU . . . . . 0.52 ' CD1' ' HG3' ' A' ' 578' ' ' PRO . 33.3 mt -85.38 146.14 27.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' ALA . . . . . 0.472 ' O ' ' OG ' ' A' ' 576' ' ' SER . . . -67.99 166.6 15.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -110.06 120.32 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.679 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' MET . . . . . 0.546 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -93.15 -18.9 22.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.355 -179.065 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -97.23 161.45 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.223 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -70.62 -8.46 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.01 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -82.33 -9.35 59.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.98 15.42 52.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.643 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.0 m-85 -126.46 -169.7 2.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.411 . . . . 0.0 111.816 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 568' ' ' ALA . 22.3 m -151.76 -179.71 7.68 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.911 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' ASP . . . . . 0.53 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 7.1 m-20 -130.79 59.22 44.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.39 0.614 . . . . 0.0 109.451 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' PRO . . . . . 0.521 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 38.2 Cg_endo -68.61 150.03 74.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.521 2.814 . . . . 0.0 115.5 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' PHE . . . . . 0.586 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 19.7 p90 -147.09 160.88 41.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.687 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' VAL . . . . . 0.569 HG22 ' CE2' ' A' ' 607' ' ' PHE . 22.7 t -115.31 133.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.759 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' LYS . . . . . 0.578 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.2 OUTLIER -115.6 132.96 56.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.477 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' LEU . . . . . 0.536 HD12 ' CE1' ' A' ' 611' ' ' PHE . 0.0 OUTLIER -120.36 139.8 52.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 111.829 -178.651 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' TRP . . . . . 0.54 ' CZ2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.55 119.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.948 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' LEU . . . . . 0.605 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 21.5 tp -92.92 107.16 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' LYS . . . . . 0.54 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 1.7 mtpp -89.03 156.63 49.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.948 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' PRO . . . . . 0.52 ' HD2' ' NZ ' ' A' ' 623' ' ' LYS . 2.4 Cg_endo -82.81 110.33 1.84 Allowed 'Cis proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.842 -1.316 . . . . 0.0 111.89 -0.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 586' ' ' PRO . 2.0 p-10 -25.28 119.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.695 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -32.37 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -119.74 -6.75 10.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 4.8 tttp 87.79 -31.84 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.758 0.313 . . . . 0.0 111.06 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -83.91 10.93 8.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' ALA . . . . . 0.442 ' HB2' ' CD1' ' A' ' 583' ' ' TRP . . . -59.49 -19.17 45.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.532 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 9.2 mttp -75.67 151.7 37.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 593' ' ' LYS . 18.9 m-70 -145.18 176.95 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.78 119.68 2.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.104 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' THR . . . . . 0.51 HG22 ' HB ' ' A' ' 580' ' ' VAL . 5.2 p -78.48 161.83 26.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.895 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.7 155.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.791 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ILE . . . . . 0.567 ' CG2' ' HB3' ' A' ' 632' ' ' TYR . 1.0 OUTLIER -87.0 126.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.631 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' LYS . . . . . 0.534 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -96.82 36.68 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.542 . . . . 0.0 110.289 179.311 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.569 ' HD3' ' CD1' ' A' ' 632' ' ' TYR . 3.8 mttp -28.7 140.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.156 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 600' ' ' LYS . 0.1 OUTLIER 68.34 58.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.091 179.092 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' THR . . . . . 0.559 ' HA ' ' CD2' ' A' ' 575' ' ' TYR . 6.3 t 178.88 148.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.017 0.437 . . . . 0.0 111.624 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 567' ' ' LEU . 15.2 mt -116.18 -12.79 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.754 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.443 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -134.35 52.94 8.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.558 ' HB3' ' CG2' ' A' ' 602' ' ' THR . 83.0 Cg_endo -79.25 176.84 9.28 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.031 2.487 . . . . 0.0 113.322 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' GLU . . . . . 0.52 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -128.58 115.36 17.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.12 179.235 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' A' ' 580' ' ' VAL . 73.3 m-85 -79.72 -49.32 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.452 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 49.42 50.17 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 110.02 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 5.2 mt-10 -109.24 136.22 49.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.192 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.1 111.45 22.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' PHE . . . . . 0.536 ' CE1' HD12 ' A' ' 582' ' ' LEU . 45.3 m-85 -95.51 174.1 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.628 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' PHE . . . . . 0.575 ' CE1' HD12 ' A' ' 558' ' ' ILE . 5.5 t80 -145.08 117.0 8.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' TYR . . . . . 0.605 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 4.6 m-85 -99.22 149.07 23.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.4 69.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' ILE . . . . . 0.577 ' CG1' HD22 ' A' ' 620' ' ' LEU . 0.9 OUTLIER -128.62 145.4 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 619' ' ' ASP . 1.2 mtpt -75.03 131.95 40.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . 0.576 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 46.9 t-80 -43.49 -49.52 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -15.02 8.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.306 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' ASP . . . . . 0.543 ' HB2' ' CD1' ' A' ' 615' ' ' ILE . 0.9 OUTLIER -105.54 -28.25 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.623 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . 0.577 HD22 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.76 -68.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.698 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' ALA . . . . . 0.545 ' O ' ' CG2' ' A' ' 648' ' ' ILE . . . -37.26 -49.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.002 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -18.35 65.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.598 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' LYS . . . . . 0.529 ' CE ' HD12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -69.92 -174.89 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 0.0 111.403 -179.564 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' SER . . . . . 0.426 ' C ' HD13 ' A' ' 584' ' ' LEU . 25.9 p -160.05 104.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.614 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 646' ' ' LEU . 54.6 tp -79.97 118.85 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.884 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -104.66 96.99 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 3.4 mp -91.87 104.11 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' SER . . . . . 0.49 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 51.6 p -115.73 135.79 53.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.151 0.5 . . . . 0.0 111.815 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' VAL . . . . . 0.506 ' CG2' HD23 ' A' ' 675' ' ' LEU . 20.2 t -107.88 121.78 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' TRP . . . . . 0.586 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 34.4 m95 -121.23 152.32 38.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.362 . . . . 0.0 111.37 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 639' ' ' ASP . 1.0 OUTLIER -86.58 135.77 33.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.027 179.04 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' TYR . . . . . 0.569 ' CD1' ' HD3' ' A' ' 600' ' ' LYS . 32.0 t80 -98.09 158.03 15.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.987 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 632' ' ' TYR . 74.1 m-20 -155.61 125.4 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.91 139.46 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.72 -7.49 49.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.608 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.41 -174.53 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 7.8 m -80.45 -178.35 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -93.67 -173.52 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.6 m-20 -147.26 149.32 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' TYR . . . . . 0.584 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -87.05 117.46 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' ILE . . . . . 0.521 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 9.2 mt -95.4 -42.64 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.679 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . 0.486 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 150.76 158.05 8.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' GLY . . . . . 0.49 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.02 -160.79 10.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.778 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.9 154.76 18.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.756 0.312 . . . . 0.0 110.818 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.53 136.49 40.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' LEU . . . . . 0.534 ' CD1' ' NE2' ' A' ' 673' ' ' HIS . 10.5 mt -126.61 93.91 3.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.082 0.468 . . . . 0.0 111.475 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -142.67 142.2 11.35 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' ILE . . . . . 0.644 ' CD1' ' CD2' ' A' ' 659' ' ' TYR . 1.4 tt -55.35 -16.97 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 120.91 0.386 . . . . 0.0 111.49 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -80.14 4.02 18.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 109.957 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -84.53 169.69 14.21 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.325 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.25 134.28 19.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.557 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 127.62 -62.47 0.63 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.87 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 654' ' ' ARG . 9.3 pt-20 -157.95 -40.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.768 0.284 . . . . 0.0 111.668 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' ARG . . . . . 0.461 ' HB3' ' CD2' ' A' ' 646' ' ' LEU . 1.2 mtm-85 -51.6 -39.41 57.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.785 0.326 . . . . 0.0 111.065 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . 0.589 ' CD1' ' HA ' ' A' ' 648' ' ' ILE . 26.3 tp -57.83 -40.94 81.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 25.2 mttm -59.25 -43.67 92.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.979 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' HIS . . . . . 0.58 ' CD2' HG23 ' A' ' 669' ' ' ILE . 10.4 t-160 -73.86 -67.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.69 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 52.8 t-105 -43.92 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.54 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' TYR . . . . . 0.644 ' CD2' ' CD1' ' A' ' 648' ' ' ILE . 0.4 OUTLIER -36.12 -54.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.398 179.545 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' GLU . . . . . 0.481 ' HB3' HD13 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -38.47 -44.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 -179.369 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 557' ' ' LEU . 45.6 t -49.36 -37.17 23.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.472 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 659' ' ' TYR . 1.8 mp -68.11 -40.5 82.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . 0.469 ' HD3' ' OE1' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -79.49 -33.89 41.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.353 0.597 . . . . 0.0 109.662 179.614 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.477 ' OD1' ' CE ' ' A' ' 667' ' ' LYS . 9.8 m-80 -109.5 45.21 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.676 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' LYS . . . . . 0.576 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 3.9 mtmt -35.61 -92.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 0.5 OUTLIER -42.7 -27.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.086 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' LYS . . . . . 0.477 ' CE ' ' OD1' ' A' ' 664' ' ' ASN . 0.9 OUTLIER -79.9 150.04 30.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 2.4 mtpt -90.17 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.693 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ILE . . . . . 0.58 HG23 ' CD2' ' A' ' 657' ' ' HIS . 1.1 mm -139.09 98.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 0.8 OUTLIER -102.85 133.27 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.424 -179.249 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . 0.493 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 1.5 mmm180 -153.56 162.08 41.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' TRP . . . . . 0.534 ' NE1' HD12 ' A' ' 545' ' ' LEU . 90.2 m95 -101.89 130.49 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' HIS . . . . . 0.534 ' NE2' ' CD1' ' A' ' 646' ' ' LEU . 33.1 m-70 -113.71 129.47 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.068 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.54 117.52 15.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.076 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.506 HD23 ' CG2' ' A' ' 629' ' ' VAL . 83.7 mt -63.87 128.9 37.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.208 0.527 . . . . 0.0 111.595 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -125.22 160.94 28.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.509 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -100.96 96.18 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.125 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.75 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -140.73 -77.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.579 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.616 -0.194 . . . . 0.0 112.616 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -131.3 147.63 52.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.628 0.251 . . . . 0.0 110.537 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.61 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.98 128.58 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.585 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.891 HD13 ' CE2' ' A' ' 672' ' ' TRP . 16.2 tp -79.84 116.1 19.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.729 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 670' ' ' GLU . 53.9 t -113.38 128.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.776 ' HB3' HD11 ' A' ' 562' ' ' ILE . 26.5 p -110.36 111.52 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.487 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 17.2 mt -92.52 166.65 12.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 111.59 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.524 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.4 tmm? 171.74 127.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.191 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.542 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 50.2 t80 -107.83 136.32 47.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.951 0.405 . . . . 0.0 111.449 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' SER . . . . . 0.404 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.1 OUTLIER -107.9 84.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.869 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.665 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.1 p -51.22 -39.66 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -46.56 58.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.301 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 554' ' ' GLN . 7.4 mm-40 -85.45 -18.75 32.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.05 39.36 32.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.382 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.542 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -151.67 173.6 30.94 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.604 HD12 ' H ' ' A' ' 558' ' ' ILE . 6.6 tp -99.95 161.42 13.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.746 0.308 . . . . 0.0 110.633 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.845 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -130.16 120.85 50.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.938 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 582' ' ' LEU . 3.1 t -108.43 125.35 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.412 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -116.84 109.38 1.91 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.076 -1.059 . . . . 0.0 113.649 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.011 HD11 ' CD2' ' A' ' 582' ' ' LEU . 42.1 mm -87.39 93.95 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.844 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -70.87 -75.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.551 ' HG3' ' CH2' ' A' ' 672' ' ' TRP . 2.2 ptm180 -157.07 174.91 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.876 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.6 p -131.56 161.12 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.01 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.41 HG13 ' CH2' ' A' ' 672' ' ' TRP . 18.7 m -147.9 152.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 112.34 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.23 46.78 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.319 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.753 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.5 mt -84.14 154.68 22.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.564 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -73.29 164.35 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.495 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.492 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.78 120.75 43.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.661 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -93.33 -19.07 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.151 -179.066 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -98.68 160.16 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.88 -5.62 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.248 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.79 -11.54 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.642 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.97 14.44 52.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.628 ' HA ' HD21 ' A' ' 603' ' ' LEU . 3.0 m-85 -125.95 -169.93 2.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.844 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.547 ' N ' HD21 ' A' ' 603' ' ' LEU . 13.7 m -155.01 177.68 11.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.503 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 4.5 m-20 -127.7 56.84 21.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.747 ' HB3' HD12 ' A' ' 641' ' ' ILE . 39.1 Cg_endo -68.85 141.4 48.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 123.502 2.802 . . . . 0.0 115.299 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 15.6 p90 -136.79 162.13 34.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.227 -1.351 . . . . 0.0 107.625 177.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 629' ' ' VAL . 40.9 t -114.98 132.25 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.632 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 3.0 mtpm? -114.37 136.77 52.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.527 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.011 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.85 139.01 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 111.785 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.576 ' CE2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.84 117.34 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.032 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.776 HD11 ' HB3' ' A' ' 623' ' ' LYS . 9.2 tp -97.9 126.77 43.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.783 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.576 ' HG2' ' CE2' ' A' ' 583' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.765 0.317 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.53 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 10.0 mttt -84.28 153.02 23.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.84 ' HB2' HD12 ' A' ' 582' ' ' LEU . 17.7 m-70 -144.69 179.11 7.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.26 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.75 119.44 2.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.327 179.395 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.673 HG21 HG21 ' A' ' 561' ' ' ILE . 2.7 p -76.99 165.45 24.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -43.62 148.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.782 HD12 ' CD2' ' A' ' 632' ' ' TYR . 2.1 mm -80.19 122.73 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.493 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.598 ' O ' HG22 ' A' ' 602' ' ' THR . 2.7 mmpt? -93.25 71.23 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 4.8 mmtm -62.0 150.41 38.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.921 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.8 mmtt 41.59 66.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.855 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.6 t -179.44 143.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.204 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 567' ' ' LEU . 13.0 mt -113.51 -12.38 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.83 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.429 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 1.1 m-80 -134.48 53.71 10.17 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.847 ' HB3' HG21 ' A' ' 602' ' ' THR . 83.9 Cg_endo -81.22 -173.13 1.7 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.828 2.352 . . . . 0.0 113.021 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.535 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -135.31 115.98 13.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.365 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.58 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 80.4 m-85 -79.93 -60.07 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.158 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 562' ' ' ILE . 0.8 OUTLIER 59.9 45.48 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -107.1 131.05 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.016 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -105.71 114.73 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 582' ' ' LEU . 55.8 m-85 -97.41 173.93 6.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.978 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.845 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.8 t80 -143.65 118.71 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.619 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.61 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.56 150.7 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.75 70.49 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.125 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.873 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.7 OUTLIER -131.48 143.21 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.653 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 615' ' ' ILE . 24.1 mmtp -72.2 131.39 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.584 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 30.4 t-80 -44.34 -42.79 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -23.34 63.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.99 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.873 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.6 m-20 -100.29 -29.08 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.67 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.82 -67.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.743 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.905 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -35.8 -59.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.933 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 619' ' ' ASP . 0.1 OUTLIER -61.29 -16.04 41.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.643 -179.055 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.776 ' HB3' HD11 ' A' ' 584' ' ' LEU . 8.7 mmpt? -64.88 172.97 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.073 0.463 . . . . 0.0 111.217 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.8 p -150.54 100.78 2.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.244 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.556 HD23 HD11 ' A' ' 627' ' ' ILE . 39.7 tp -79.76 121.71 25.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -104.2 95.27 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.556 HD11 HD23 ' A' ' 625' ' ' LEU . 4.2 mp -90.72 106.84 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.519 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 5.0 m -118.59 139.74 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.118 0.485 . . . . 0.0 111.73 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 580' ' ' VAL . 26.0 t -109.48 122.01 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.453 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.609 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 37.9 m95 -120.48 151.68 39.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.627 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.6 OUTLIER -86.06 137.01 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.291 179.295 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.782 ' CD2' HD12 ' A' ' 598' ' ' ILE . 22.3 t80 -99.29 160.36 14.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.969 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 38.8 m-20 -155.32 127.78 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.5 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -77.55 134.58 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.987 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.48 2.76 51.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -163.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.26 167.73 10.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -80.17 -172.83 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 631' ' ' ASP . 37.5 m-20 -153.48 152.36 30.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.74 119.72 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.02 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.747 HD12 ' HB3' ' A' ' 578' ' ' PRO . 34.4 mt -100.71 -44.51 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 159.15 160.28 10.28 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.65 -162.52 13.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.587 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.59 165.04 26.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -112.29 137.09 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.878 HD11 ' NE2' ' A' ' 673' ' ' HIS . 10.2 mt -128.04 96.95 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.061 0.458 . . . . 0.0 111.81 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -144.81 138.81 8.03 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 1.004 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.3 tt -53.04 -18.45 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 117.036 0.418 . . . . 0.0 111.366 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 18.8 t -71.68 -6.69 42.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.163 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.261 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.557 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.8 mtm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.632 0.253 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.9 tp -65.38 -36.01 82.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 1.3 pttp -63.69 -50.66 68.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.623 ' CD2' HG22 ' A' ' 669' ' ' ILE . 13.1 t-80 -69.71 -52.37 26.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.476 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.597 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.3 t-105 -60.05 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.113 0.482 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 1.004 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.6 OUTLIER -31.82 -59.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.923 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.691 ' CG ' HD12 ' A' ' 669' ' ' ILE . 5.7 pt-20 -43.67 -38.28 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.181 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 23.2 t -51.59 -39.79 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 109.767 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.905 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.7 OUTLIER -62.33 -33.95 75.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 179.339 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -41.43 23.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.839 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.736 ' HB2' HD11 ' A' ' 669' ' ' ILE . 5.3 m120 -100.17 60.52 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.581 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.665 ' HD3' HG22 ' A' ' 552' ' ' THR . 1.9 mttt -53.4 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.331 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -18.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.394 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.1 OUTLIER -89.06 137.04 32.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.729 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.46 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 2.4 mtpt -79.65 123.15 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 664' ' ' ASN . 1.1 mm -112.08 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.651 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 6.0 pm0 -112.98 154.57 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.08 0.467 . . . . 0.0 111.636 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.602 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -174.03 161.31 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.891 ' CE2' HD13 ' A' ' 545' ' ' LEU . 91.9 m95 -89.32 129.23 35.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.254 0.549 . . . . 0.0 112.227 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.878 ' NE2' HD11 ' A' ' 646' ' ' LEU . 26.8 m-70 -108.75 138.4 45.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.198 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -83.32 122.33 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.376 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.424 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 84.0 mt -67.39 137.16 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.083 0.468 . . . . 0.0 111.562 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -128.07 160.91 30.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 13.2 t30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.943 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.59 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.579 ' HD2' HG23 ' A' ' 565' ' ' VAL . 0.0 OUTLIER -138.51 145.33 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.583 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -120.2 128.96 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 111.625 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.918 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.3 tp -79.61 121.68 25.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 88.5 t -115.04 132.23 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.746 ' HB3' HD11 ' A' ' 562' ' ' ILE . 44.7 p -113.81 103.79 11.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 669' ' ' ILE . 13.9 mt -91.09 164.11 14.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 111.808 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.535 ' CG ' ' HA ' ' A' ' 668' ' ' LYS . 0.9 OUTLIER 174.36 128.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.566 ' HD1' HD11 ' A' ' 620' ' ' LEU . 59.2 t80 -103.71 134.18 47.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.903 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' SER . . . . . 0.668 ' OG ' HD11 ' A' ' 558' ' ' ILE . 4.4 p -100.23 92.93 5.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.034 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.422 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.2 p -65.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 109.787 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -53.81 -43.18 69.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.945 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.482 ' HG3' ' HB2' ' A' ' 551' ' ' SER . 0.1 OUTLIER -90.83 -19.55 23.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.226 179.351 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 555' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 551' ' ' SER . . . 78.02 38.78 25.65 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.442 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -150.5 168.92 30.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.906 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 5.8 tp -94.51 154.91 17.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 0.0 110.498 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.804 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.6 mm -127.89 123.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.98 0.419 . . . . 0.0 110.901 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 582' ' ' LEU . 3.0 t -113.43 120.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.646 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.455 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -112.06 119.9 5.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.539 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.032 HD11 HD21 ' A' ' 582' ' ' LEU . 38.8 mm -95.53 97.74 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.894 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.4 mp -73.28 -73.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -160.98 178.84 8.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.184 0.516 . . . . 0.0 111.921 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 567' ' ' LEU . 7.0 p -135.0 159.5 41.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.829 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.579 HG23 ' HD2' ' A' ' 543' ' ' LYS . 28.2 m -142.09 147.83 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 53.05 54.71 9.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.399 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.789 ' O ' HD13 ' A' ' 603' ' ' LEU . 11.1 mt -83.5 161.9 21.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.2 150.29 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.58 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -118.5 109.45 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.577 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.8 mtm -90.7 -20.08 22.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.41 158.31 36.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.651 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.96 0.78 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.407 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.56 -4.89 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 88.06 6.56 75.14 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.169 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.58 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.64 -169.15 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.003 0.43 . . . . 0.0 111.815 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.497 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.7 OUTLIER -155.95 171.45 20.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 599' ' ' LYS . 2.1 m-20 -117.52 58.32 2.48 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 109.381 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.712 ' HB3' HD12 ' A' ' 641' ' ' ILE . 33.4 Cg_endo -65.58 139.59 59.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 123.4 2.733 . . . . 0.0 114.964 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.9 p90 -139.33 161.37 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.315 -1.311 . . . . 0.0 107.701 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.663 ' O ' HG23 ' A' ' 596' ' ' THR . 22.0 t -114.41 130.31 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 119.837 -0.745 . . . . 0.0 112.737 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.95 133.94 55.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.303 178.635 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.032 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -121.79 139.79 53.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.005 0.431 . . . . 0.0 111.826 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.565 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.6 t90 -148.91 117.51 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.626 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.1 tp -94.01 115.12 27.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 624' ' ' SER . 3.0 pttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.863 0.364 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.565 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.2 OUTLIER -64.4 160.37 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.1 m-70 -160.32 170.64 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.232 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.56 119.01 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.212 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 580' ' ' VAL . 3.4 p -79.28 161.07 26.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -40.82 144.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.691 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.674 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.6 mm -77.9 126.8 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.363 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 602' ' ' THR . 11.6 mmpt? -92.49 72.6 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.26 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.55 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 35.2 mmtm -51.28 143.72 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.028 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.437 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 31.66 76.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.028 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.805 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.8 t -179.0 144.56 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.769 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.5 mt -119.22 -12.29 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.557 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.2 OUTLIER -129.3 45.79 1.92 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.561 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.805 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.5 Cg_endo -74.64 -174.51 1.89 Allowed 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.966 2.444 . . . . 0.0 112.957 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.4 OUTLIER -132.81 115.84 15.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.28 179.484 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.674 ' CB ' HG22 ' A' ' 561' ' ' ILE . 71.9 m-85 -80.93 -56.01 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' ILE . 5.2 t-20 49.63 46.74 23.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.256 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.454 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 9.5 mm-40 -107.74 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.78 114.28 27.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.784 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 42.4 m-85 -96.7 175.55 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.136 0.493 . . . . 0.0 111.721 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.804 ' HD1' HD13 ' A' ' 558' ' ' ILE . 3.9 t80 -147.27 118.25 7.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.721 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.626 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.16 148.24 24.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.691 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.75 69.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.989 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.904 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -134.28 145.1 33.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -74.48 144.68 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.433 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.534 ' NE2' ' HD3' ' A' ' 665' ' ' LYS . 57.6 t-80 -53.71 -44.67 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -18.71 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.904 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.4 m-20 -101.48 -31.22 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.742 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.689 HD21 HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -33.29 -68.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.889 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.762 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.55 -54.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.025 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -16.9 55.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.082 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.848 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -72.86 164.12 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.292 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 624' ' ' SER . . . . . 0.442 ' HB2' ' HE3' ' A' ' 585' ' ' LYS . 0.0 OUTLIER -145.21 103.39 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.911 179.327 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 584' ' ' LEU . 28.5 tp -79.07 154.68 29.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.801 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 626' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 4.2 t0 -132.19 96.29 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.474 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -92.34 92.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.224 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.509 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.2 m -109.16 136.71 48.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.54 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 580' ' ' VAL . 15.3 t -103.75 124.86 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.32 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.606 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 67.8 m95 -121.07 146.57 46.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.232 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 639' ' ' ASP . 0.0 OUTLIER -86.27 118.43 25.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.045 0.45 . . . . 0.0 110.452 179.565 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.674 ' CG ' HG21 ' A' ' 598' ' ' ILE . 52.6 t80 -79.97 161.51 25.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.471 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.6 OUTLIER -160.11 119.02 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.052 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.517 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -70.41 133.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 80.57 -11.48 39.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.801 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -130.67 -176.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.1 m -80.0 -176.18 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.805 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.61 178.73 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 631' ' ' ASP . 37.9 m-20 -139.96 149.51 43.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -93.12 115.92 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.906 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.712 HD12 ' HB3' ' A' ' 578' ' ' PRO . 40.0 mt -96.24 -39.42 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.551 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 149.51 164.0 11.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.307 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -167.94 -163.04 21.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.739 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 644' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 674' ' ' GLN . 5.5 m -165.69 142.71 5.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.43 137.43 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.806 HD11 ' NE2' ' A' ' 673' ' ' HIS . 8.2 mt -120.24 96.74 5.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 111.362 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -145.99 146.11 15.87 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.57 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.898 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -59.19 -13.3 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 120.815 0.341 . . . . 0.0 111.667 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -87.09 13.49 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.462 . . . . 0.0 109.949 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.476 -179.682 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.526 ' HB3' HD23 ' A' ' 646' ' ' LEU . 4.0 mtm180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.2 tp -57.55 -37.01 72.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.557 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 9.1 pttt -62.85 -55.52 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.772 ' CE1' HG22 ' A' ' 669' ' ' ILE . 14.1 t60 -59.57 -56.7 18.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -59.63 -80.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.083 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.898 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -38.65 -64.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.286 -179.579 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.9 pt-20 -45.14 -30.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.256 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 11.5 t -61.84 -39.36 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.762 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -59.49 -31.69 69.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.132 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.474 ' CG ' ' OD1' ' A' ' 664' ' ' ASN . 0.7 OUTLIER -78.01 -41.63 35.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.779 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.558 ' HB3' ' CG ' ' A' ' 667' ' ' LYS . 33.5 m-20 -107.78 66.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.702 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.534 ' HD3' ' NE2' ' A' ' 617' ' ' HIS . 0.4 OUTLIER -67.69 -73.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 666' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -33.32 -31.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.67 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.558 ' CG ' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -108.27 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.704 0.287 . . . . 0.0 110.428 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.81 175.75 10.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.456 0.646 . . . . 0.0 112.148 -178.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.772 HG22 ' CE1' ' A' ' 657' ' ' HIS . 0.9 OUTLIER -145.29 118.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.784 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.517 ' CG ' ' HB3' ' A' ' 547' ' ' SER . 5.2 mt-10 -114.4 130.95 56.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.148 0.499 . . . . 0.0 112.184 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.447 ' CG ' ' ND1' ' A' ' 657' ' ' HIS . 4.1 mmt180 -153.99 163.99 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.972 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.918 ' NE1' HD13 ' A' ' 545' ' ' LEU . 80.5 m95 -103.11 132.33 49.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.806 ' NE2' HD11 ' A' ' 646' ' ' LEU . 32.0 m-70 -115.47 129.32 56.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.515 ' OE1' ' CG ' ' A' ' 676' ' ' GLN . 0.0 OUTLIER -76.83 122.04 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.964 0.411 . . . . 0.0 110.342 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 642' ' ' GLY . 90.8 mt -64.77 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.212 0.529 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.515 ' CG ' ' OE1' ' A' ' 674' ' ' GLN . 67.7 mt-30 -125.1 162.6 24.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.817 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.626 ' N ' HD12 ' A' ' 675' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.674 -0.17 . . . . 0.0 112.674 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.528 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 1.6 mtmm -132.49 158.19 42.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.693 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -134.98 124.3 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.019 0.438 . . . . 0.0 111.653 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.967 HD13 ' NE1' ' A' ' 672' ' ' TRP . 16.2 tp -79.7 120.58 24.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.449 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 74.6 t -118.31 137.22 52.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.598 ' HB3' HD11 ' A' ' 562' ' ' ILE . 2.1 p -112.89 120.01 39.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.522 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 14.8 mt -100.64 158.04 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 0.0 111.448 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.517 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.2 OUTLIER 175.67 125.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.455 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 41.2 t80 -104.34 131.06 52.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 111.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' SER . . . . . 0.435 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -104.09 77.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 552' ' ' THR . 1.1 p -44.04 -35.41 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.434 . . . . 0.0 110.263 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.495 ' HG3' ' HG2' ' A' ' 554' ' ' GLN . 0.0 OUTLIER -54.31 -56.61 16.82 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.495 ' HG2' ' HG3' ' A' ' 553' ' ' GLN . 1.8 mm-40 -73.71 -15.34 61.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.367 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.78 58.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -160.09 165.15 34.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.729 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.542 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 14.3 tp -89.06 158.91 17.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.664 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.846 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -126.45 124.51 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.922 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 582' ' ' LEU . 2.2 t -114.19 123.16 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.7 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.97 115.45 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.323 -0.942 . . . . 0.0 113.407 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 0.968 HD11 ' CD2' ' A' ' 582' ' ' LEU . 43.4 mm -92.09 94.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.86 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.9 mp -72.84 -75.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.508 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -156.19 177.77 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 112.073 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 567' ' ' LEU . 6.8 p -135.79 159.29 42.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.726 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 543' ' ' LYS . 32.8 m -147.68 145.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 112.42 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.9 t60 67.56 38.88 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.298 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.74 ' O ' HD13 ' A' ' 603' ' ' LEU . 9.6 mt -76.51 156.05 33.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.331 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.457 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -77.17 166.49 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.949 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -120.84 119.58 33.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.496 ' HG3' ' HB2' ' A' ' 639' ' ' ASP . 9.3 mmt -90.97 -23.68 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.619 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -79.59 168.29 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.048 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -81.52 -10.58 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -81.25 -9.42 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.82 8.97 58.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.535 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -119.95 -168.7 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 111.726 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.646 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.9 OUTLIER -158.54 176.52 12.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.372 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.526 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.8 m-20 -122.2 57.31 8.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.606 ' CG ' HD12 ' A' ' 567' ' ' LEU . 37.3 Cg_endo -67.38 141.56 56.7 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 123.392 2.728 . . . . 0.0 115.327 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 11.4 p90 -139.89 162.57 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.119 -1.4 . . . . 0.0 107.545 177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 629' ' ' VAL . 21.6 t -114.47 137.38 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.661 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.592 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.5 mttp -116.99 132.39 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.772 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 0.968 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.81 134.99 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 111.431 -179.282 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.532 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.3 t90 -145.75 118.46 8.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.623 HD11 ' CB ' ' A' ' 623' ' ' LYS . 21.8 tp -91.18 108.11 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.852 0.358 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.49 ' HD3' ' HB2' ' A' ' 583' ' ' TRP . 13.2 mmtp -66.38 153.27 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.541 ' HB3' HD12 ' A' ' 582' ' ' LEU . 5.8 m170 -153.66 169.96 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 111.469 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.34 127.14 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.254 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.733 HG21 HG21 ' A' ' 561' ' ' ILE . 1.4 p -86.8 164.76 16.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.387 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.529 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 2.7 pt20 -44.65 147.19 0.64 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.097 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.644 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.9 mm -80.26 132.36 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.935 0.398 . . . . 0.0 111.561 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.613 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.97 75.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.997 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.488 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 20.3 mmtp -55.22 145.64 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.085 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.478 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.9 OUTLIER 34.73 75.72 0.05 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.956 179.379 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.804 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.3 t 179.01 143.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.4 mt -117.79 -11.76 10.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 13.8 m-80 -131.36 47.76 3.13 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.479 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.804 ' HB3' HG21 ' A' ' 602' ' ' THR . 72.0 Cg_endo -75.96 -170.66 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.082 2.521 . . . . 0.0 113.424 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.508 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -137.0 113.75 10.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.177 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.575 ' HB2' HG22 ' A' ' 561' ' ' ILE . 68.4 m-85 -79.9 -58.26 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.195 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 1.5 t-20 55.53 46.4 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.342 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.437 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 13.3 mm-40 -106.61 136.57 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -107.8 115.26 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 28.7 m-85 -98.44 176.72 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.229 0.537 . . . . 0.0 112.071 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.846 ' HD1' HD13 ' A' ' 558' ' ' ILE . 8.3 t80 -150.86 121.94 7.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.331 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.612 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.67 151.91 21.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 65.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.896 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -128.64 143.41 41.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -73.26 132.18 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.537 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 52.3 t-80 -45.13 -47.23 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.025 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 37.7 t -57.58 -15.71 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.896 ' CB ' HD11 ' A' ' 615' ' ' ILE . 5.7 m-20 -105.93 -28.85 10.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.727 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.611 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.35 -67.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.763 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -35.84 -49.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.869 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.622 ' HE2' ' HB3' ' A' ' 621' ' ' ALA . 0.0 OUTLIER -66.85 -22.61 65.98 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.875 0.369 . . . . 0.0 111.579 -179.055 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.771 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.8 mmpt? -69.77 173.88 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.143 0.497 . . . . 0.0 111.364 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 91.0 p -146.73 105.12 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 646' ' ' LEU . 40.6 tp -79.51 114.18 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.058 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -104.49 100.65 10.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 646' ' ' LEU . 2.3 mp -92.04 109.56 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.501 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 85.1 p -115.04 153.43 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 580' ' ' VAL . 25.3 t -127.02 125.41 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.76 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.592 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 35.3 m95 -120.47 143.06 48.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.091 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.82 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.39 106.88 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 0.0 110.352 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.644 ' CD2' HD12 ' A' ' 598' ' ' ILE . 39.7 t80 -59.52 165.6 2.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.105 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 36.9 m-20 -158.77 119.03 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.551 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -78.46 137.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 61.78 15.43 48.16 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 636' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 634' ' ' ILE . 0.0 OUTLIER -155.5 -179.01 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.4 OUTLIER -80.95 155.73 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 1.1 m-80 -77.87 -162.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.496 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 28.2 m-20 -159.39 141.15 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.8 OUTLIER -82.99 115.7 21.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.82 HD11 ' HB2' ' A' ' 631' ' ' ASP . 60.6 mt -91.09 -40.5 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 676' ' ' GLN . . . 154.33 169.23 18.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.696 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.15 -179.81 39.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.26 158.88 43.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 7.6 pt20 -109.29 146.72 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.72 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.883 HD11 ' NE2' ' A' ' 673' ' ' HIS . 25.4 mt -137.47 91.63 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.9 145.17 17.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.871 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.946 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.5 tt -59.53 -13.04 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 120.818 0.342 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.7 t -86.07 12.38 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.222 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 646' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.999 0.428 . . . . 0.0 110.552 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.946 HD12 ' HA ' ' A' ' 648' ' ' ILE . 14.9 tp -90.17 -47.56 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.8 mttt -47.41 -66.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.321 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.64 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 14.2 t-160 -55.84 -52.98 62.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -61.15 -77.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.352 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.573 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -46.04 -64.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.271 -179.273 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.578 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.7 pt-20 -43.62 -31.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 12.7 t -63.18 -42.06 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.763 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -54.0 -30.6 47.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.796 178.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 663' ' ' LYS . 0.0 OUTLIER -81.22 -40.38 23.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.691 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.512 ' OD1' ' CD ' ' A' ' 667' ' ' LYS . 15.9 m-20 -100.11 68.82 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.55 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.537 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.6 OUTLIER -58.57 -79.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.454 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.13 -21.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.911 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.512 ' CD ' ' OD1' ' A' ' 664' ' ' ASN . 0.3 OUTLIER -97.79 131.34 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 0.0 110.791 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -80.37 163.23 24.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.494 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.64 ' CG2' ' CD2' ' A' ' 657' ' ' HIS . 1.0 OUTLIER -137.98 117.67 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.696 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.543 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 13.6 mp0 -108.39 131.71 54.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.391 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.424 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 0.2 OUTLIER -152.09 161.52 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.468 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.967 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.5 m95 -103.14 134.16 47.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.743 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.883 ' NE2' HD11 ' A' ' 646' ' ' LEU . 90.7 m-70 -120.43 129.36 53.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.528 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 68.0 mt-30 -75.84 120.18 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.626 HD12 ' N ' ' A' ' 542' ' ' GLY . 97.7 mt -55.04 127.8 30.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.519 . . . . 0.0 111.527 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 677' ' ' ASN . 3.0 pt20 -106.79 -179.47 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.031 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 677' ' ' ASN . . . . . 0.534 ' N ' ' HG3' ' A' ' 676' ' ' GLN . 3.3 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.577 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 139.05 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.701 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.509 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -117.79 124.53 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.453 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.938 ' HG ' HD13 ' A' ' 562' ' ' ILE . 15.9 tp -79.64 122.52 26.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.641 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 627' ' ' ILE . 52.7 t -120.96 137.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.1 p -114.2 114.32 25.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.311 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 669' ' ' ILE . 7.0 mt -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.043 0.449 . . . . 0.0 111.348 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 558' ' ' ILE . 3.4 tmm? -179.53 136.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.7 t80 -112.31 132.45 54.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.975 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' SER . . . . . 0.484 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -103.65 87.41 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.597 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -54.7 -38.5 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.051 0.453 . . . . 0.0 110.129 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.44 -45.45 25.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.953 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -90.83 -19.63 23.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.527 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 77.97 38.34 26.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.529 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -147.65 171.03 28.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.632 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 558' ' ' ILE . 9.2 tp -96.26 161.48 13.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 110.697 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.847 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -131.35 132.06 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.205 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.885 HG11 HD22 ' A' ' 582' ' ' LEU . 2.8 t -121.22 121.3 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.623 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.14 114.07 3.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.447 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 0.957 HD11 ' CD2' ' A' ' 582' ' ' LEU . 28.0 mm -93.32 97.1 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.9 mp -75.81 -75.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.8 OUTLIER -160.62 173.29 15.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 112.007 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.0 OUTLIER -128.52 160.95 30.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.802 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 30.6 m -147.27 145.69 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.313 0.578 . . . . 0.0 112.548 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.533 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.28 51.37 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.675 179.199 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.707 ' O ' HD13 ' A' ' 603' ' ' LEU . 35.3 mt -89.13 142.1 27.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.815 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -71.29 152.98 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.368 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.562 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -112.27 108.73 18.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.495 ' HE1' HG12 ' A' ' 641' ' ' ILE . 3.1 mtm -85.53 -24.76 27.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.921 0.391 . . . . 0.0 110.988 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.3 156.12 35.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -75.11 1.46 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.28 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -91.9 -9.28 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.836 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.483 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.19 -0.76 64.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.248 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.562 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -123.26 -169.36 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.979 0.419 . . . . 0.0 111.823 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.462 ' C ' ' HD3' ' A' ' 578' ' ' PRO . 0.4 OUTLIER -149.55 170.38 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.971 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 45.0 m-20 -115.9 64.25 2.4 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.569 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 37.1 Cg_endo -67.21 135.66 37.84 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 123.088 2.525 . . . . 0.0 115.681 -177.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.623 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 35.3 p90 -144.36 161.01 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.156 176.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 629' ' ' VAL . 42.5 t -117.03 136.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 119.707 -0.797 . . . . 0.0 113.121 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.606 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 6.3 mttt -115.96 133.25 56.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.5 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 0.957 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.7 135.46 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.814 0.34 . . . . 0.0 111.405 -179.44 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.592 ' CE3' ' HE3' ' A' ' 593' ' ' LYS . 5.6 t90 -144.44 121.26 11.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.995 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 623' ' ' LYS . 16.3 tp -96.89 109.48 22.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.2 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.393 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.592 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 7.9 mmtm -83.65 157.98 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.76 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.3 m-70 -153.99 170.82 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 111.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.16 119.78 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.426 179.483 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.912 HG21 HG21 ' A' ' 561' ' ' ILE . 8.1 p -74.03 164.24 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.796 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -49.19 140.5 9.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.426 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.788 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.0 mm -81.18 119.52 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.869 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.28 60.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.057 0.456 . . . . 0.0 110.261 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.532 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.1 OUTLIER -48.88 138.23 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -179.434 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.507 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 68.81 63.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.115 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.873 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.1 t 178.71 149.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 567' ' ' LEU . 19.6 mt -119.63 -13.21 9.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -133.79 52.19 7.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.873 ' HB3' HG21 ' A' ' 602' ' ' THR . 96.1 Cg_endo -78.32 179.84 6.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 123.002 2.468 . . . . 0.0 112.961 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 25.3 tt0 -128.24 118.88 24.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.396 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 562' ' ' ILE . 51.8 m-85 -87.03 -61.37 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 561' ' ' ILE . 2.1 t-20 56.4 45.97 21.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.255 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.525 ' OE1' ' CG2' ' A' ' 558' ' ' ILE . 0.2 OUTLIER -103.41 121.53 42.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.437 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.559 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 30.1 m-85 -102.61 178.46 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.008 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.847 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.6 t80 -150.73 121.89 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.461 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.3 m-85 -101.7 154.18 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.533 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -109.08 65.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.882 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -131.57 139.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.735 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -72.21 131.27 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.456 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.0 t-80 -41.51 -51.71 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.0 m -52.24 -19.42 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.882 ' CB ' HD11 ' A' ' 615' ' ' ILE . 61.4 m-20 -102.43 -30.36 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.716 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.3 -66.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.646 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.814 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.91 -48.18 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.478 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.95 -17.31 64.58 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.186 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.811 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.0 mmpt? -74.0 -177.33 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.374 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.14 102.99 1.45 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.982 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 18.8 tp -79.39 138.15 37.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.129 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.59 95.56 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.591 HD11 HD12 ' A' ' 646' ' ' LEU . 1.4 mp -90.69 104.31 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.487 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.0 m -117.96 143.56 46.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.796 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 580' ' ' VAL . 14.9 t -111.92 136.54 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.286 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.623 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 47.9 m95 -128.51 148.62 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.312 . . . . 0.0 111.832 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.524 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.8 OUTLIER -87.83 93.99 9.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.118 0.485 . . . . 0.0 109.868 178.381 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.788 ' CG ' HG21 ' A' ' 598' ' ' ILE . 26.7 t80 -53.23 162.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.5 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -159.3 124.37 4.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.71 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.701 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -85.72 138.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.99 -13.94 41.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.669 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 -166.71 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.021 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -79.64 173.15 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -89.66 -161.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 631' ' ' ASP . 16.3 m-20 -156.05 142.84 18.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.562 ' HA ' ' CE3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -87.06 114.57 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' A' ' 631' ' ' ASP . 31.1 mt -91.02 -37.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 147.27 166.94 12.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -165.17 -164.0 19.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.608 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 4.8 p -160.59 143.29 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.494 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 51.9 mt-30 -91.81 148.61 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.591 HD12 HD11 ' A' ' 627' ' ' ILE . 15.3 mt -137.5 84.7 2.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.192 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -128.88 145.47 16.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.63 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.962 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.3 tt -62.57 -10.88 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.0 111.437 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.8 t -92.51 16.5 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.913 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.292 -179.603 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.6 mtt-85 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 648' ' ' ILE . 11.5 tp -73.12 -45.85 54.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 8.1 mttm -49.86 -62.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.641 ' CD2' HG21 ' A' ' 669' ' ' ILE . 10.9 t-160 -59.32 -52.96 63.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 59.8 t-105 -59.24 -78.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.264 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.11 -61.37 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.914 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.549 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 12.8 pt-20 -41.98 -34.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 40.8 t -58.39 -41.53 85.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.167 0.508 . . . . 0.0 109.732 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.814 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -58.12 -32.05 67.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.069 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -81.41 -42.64 20.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.509 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 80.3 m-20 -101.15 66.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.468 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.597 ' HD3' HG22 ' A' ' 552' ' ' THR . 15.8 mttt -65.46 -73.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.375 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -20.6 0.55 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.615 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -97.5 136.24 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.4 OUTLIER -79.99 142.76 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.4 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.641 HG21 ' CD2' ' A' ' 657' ' ' HIS . 1.1 mt -111.18 158.12 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.341 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.503 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 11.8 mt-10 -159.34 125.25 4.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.429 ' O ' HD12 ' A' ' 545' ' ' LEU . 6.1 mmm180 -153.19 165.44 35.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.625 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.934 ' NE1' HD13 ' A' ' 545' ' ' LEU . 80.3 m95 -104.56 132.67 50.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.667 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.539 ' NE2' HD11 ' A' ' 646' ' ' LEU . 54.5 m-70 -116.73 129.56 56.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -76.88 105.08 7.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.254 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 567' ' ' LEU . 92.4 mt -40.92 128.17 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.1 mt-30 -125.37 159.8 30.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.794 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.62 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.449 -0.465 0 CA-C-O 120.84 0.133 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 674' ' ' GLN . 0.1 OUTLIER -129.27 145.33 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.58 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -119.23 128.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.037 0.446 . . . . 0.0 111.825 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.926 ' HG ' HD13 ' A' ' 562' ' ' ILE . 17.8 tp -79.65 112.39 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.476 HG23 HG23 ' A' ' 544' ' ' ILE . 54.1 t -111.33 130.12 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.082 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.944 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.3 p -114.57 111.87 22.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.624 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 669' ' ' ILE . 41.6 mt -94.37 164.76 12.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.1 0.476 . . . . 0.0 111.256 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.2 ttt 176.51 123.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.575 ' CE1' ' HG ' ' A' ' 620' ' ' LEU . 50.1 t80 -102.45 130.35 49.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.026 0.441 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.61 82.78 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.468 HG22 ' HD2' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -50.62 -33.48 22.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.51 . . . . 0.0 109.907 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -52.38 -49.77 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.664 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -85.54 -15.56 42.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.983 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 73.79 40.4 45.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.396 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.53 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -152.02 173.85 31.14 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.435 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.605 HD12 ' H ' ' A' ' 558' ' ' ILE . 8.6 tp -98.33 160.82 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.83 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -131.95 119.72 41.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.799 HG11 HD22 ' A' ' 582' ' ' LEU . 2.1 t -106.65 120.69 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -110.56 117.4 4.64 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.369 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 0.845 HD11 HD21 ' A' ' 582' ' ' LEU . 10.4 mm -96.57 95.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.944 HD11 ' HB3' ' A' ' 547' ' ' SER . 1.9 mp -73.13 -71.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.6 OUTLIER -160.49 176.56 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 112.008 -179.066 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.62 ' SG ' HD11 ' A' ' 567' ' ' LEU . 4.6 p -133.54 159.79 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.812 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 28.0 m -147.2 144.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.328 0.585 . . . . 0.0 112.565 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.534 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.7 OUTLIER 63.73 44.98 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.608 179.125 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.697 ' O ' HD13 ' A' ' 603' ' ' LEU . 14.9 mt -81.1 157.01 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.881 0.372 . . . . 0.0 111.25 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -76.98 159.11 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.014 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.502 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.19 118.49 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.241 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.49 ' N ' ' OG ' ' A' ' 576' ' ' SER . 11.2 mmt -86.5 -22.14 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.666 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -89.26 157.58 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.39 -3.25 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.75 -11.74 56.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.782 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.502 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.5 7.38 59.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.598 ' C ' HD21 ' A' ' 603' ' ' LEU . 2.9 m-85 -120.89 -168.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 111.702 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.765 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.8 OUTLIER -160.24 177.31 10.78 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.136 0.494 . . . . 0.0 111.417 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.552 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.5 m-20 -122.77 57.93 10.58 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.174 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.709 ' HB3' HD12 ' A' ' 641' ' ' ILE . 35.2 Cg_endo -66.27 138.05 49.78 Favored 'Trans proline' 0 C--O 1.23 0.099 0 C-N-CA 123.283 2.655 . . . . 0.0 115.015 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 12.8 p90 -136.42 161.58 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.326 -1.307 . . . . 0.0 107.785 177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 629' ' ' VAL . 22.0 t -116.25 128.34 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 119.962 -0.695 . . . . 0.0 112.501 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 0.1 OUTLIER -111.42 135.98 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.806 179.028 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 0.845 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.13 136.66 53.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 0.0 111.736 -179.118 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.529 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.0 t90 -143.05 115.86 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.926 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.4 tp -93.35 121.42 34.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.053 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 5.3 mttm . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.801 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.867 0.365 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 2.8 mttt -84.51 158.26 21.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.667 ' HB2' HD12 ' A' ' 582' ' ' LEU . 17.9 m-70 -153.36 174.43 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.539 . . . . 0.0 111.694 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.1 OUTLIER -161.14 115.33 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.916 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.4 p -72.98 156.9 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.254 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -40.05 144.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.674 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.9 mm -76.97 123.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.603 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -93.54 68.14 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.7 178.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 1.5 mttt -65.33 137.93 57.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.026 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.505 ' O ' ' HB ' ' A' ' 602' ' ' THR . 27.4 mmtt 64.85 57.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.962 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.804 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.0 t 179.0 145.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 111.375 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.765 HD21 ' N ' ' A' ' 576' ' ' SER . 10.8 mt -118.72 -11.39 9.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.78 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 58.9 m-80 -131.27 47.85 3.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.409 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.804 ' HB3' HG21 ' A' ' 602' ' ' THR . 79.8 Cg_endo -77.11 -172.64 1.5 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.025 2.483 . . . . 0.0 113.432 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.6 mt-10 -132.32 114.96 15.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.096 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.822 ' CB ' HG22 ' A' ' 561' ' ' ILE . 75.0 m-85 -80.03 -57.28 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.654 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.1 t30 52.45 46.8 26.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.004 0.43 . . . . 0.0 110.066 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 12.6 mm-40 -106.43 133.53 50.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.065 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 610' ' ' GLU . 0.2 OUTLIER -110.19 111.11 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 45.5 m-85 -94.58 171.43 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.162 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.83 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.3 t80 -143.58 121.31 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.561 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.612 ' HE1' HG21 ' A' ' 559' ' ' VAL . 7.5 m-85 -102.95 153.3 20.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -108.91 67.9 0.67 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.873 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.7 OUTLIER -135.97 136.15 49.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.46 141.14 54.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.289 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.592 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 56.4 t-80 -50.15 -45.61 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.975 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -23.52 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.873 ' CB ' HD11 ' A' ' 615' ' ' ILE . 0.9 OUTLIER -103.88 -31.16 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.749 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.692 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.76 -66.68 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.536 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.791 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.42 -54.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.484 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -62.56 -15.66 52.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.391 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.808 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.4 mmpt? -70.93 176.93 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.48 102.39 2.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.432 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 582' ' ' LEU . 58.8 tp -79.94 128.19 33.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.214 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -110.14 96.21 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.661 HD11 HD12 ' A' ' 646' ' ' LEU . 1.7 mp -92.2 100.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.755 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 58.0 p -113.08 136.99 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.126 0.488 . . . . 0.0 111.717 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 580' ' ' VAL . 22.0 t -107.32 123.71 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.32 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.8 m95 -123.75 148.62 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.408 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.728 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -85.17 113.93 21.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.002 0.429 . . . . 0.0 109.947 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.766 ' HE1' HG23 ' A' ' 634' ' ' ILE . 49.7 t80 -70.88 166.79 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.392 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.4 m-20 -160.03 126.49 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.588 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.766 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.94 133.25 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 70.36 3.15 45.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.378 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -162.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 110.82 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.42 137.55 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.401 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 6.6 p-10 -55.9 -166.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 631' ' ' ASP . 3.3 m-20 -157.56 145.0 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -84.27 119.14 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.728 HD11 ' HB2' ' A' ' 631' ' ' ASP . 18.2 mt -97.7 -42.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.613 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 153.07 158.79 8.71 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.486 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.54 -165.87 16.6 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.71 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -164.55 145.16 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.499 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 2.1 mt-30 -91.2 149.61 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.682 HD21 ' CE1' ' A' ' 673' ' ' HIS . 15.7 mt -138.14 88.03 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 111.312 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -132.83 143.81 15.58 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.948 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.4 tt -61.49 -12.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-O 121.007 0.432 . . . . 0.0 111.403 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -89.23 15.57 8.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.217 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.285 -179.686 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.934 0.397 . . . . 0.0 110.682 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.948 HD12 ' HA ' ' A' ' 648' ' ' ILE . 12.2 tp -84.76 -43.61 14.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.138 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 3.6 mttp -49.63 -61.13 2.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.551 ' CD2' HG22 ' A' ' 669' ' ' ILE . 12.7 t-160 -64.17 -55.82 19.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 53.8 t-105 -52.77 -70.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.263 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.654 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -50.0 -61.35 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.077 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 17.4 pt-20 -43.54 -27.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.497 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.489 ' SG ' ' CB ' ' A' ' 548' ' ' LEU . 3.5 t -66.63 -42.5 86.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.791 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -56.58 -27.69 58.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.309 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 660' ' ' GLU . 0.4 OUTLIER -79.2 -43.59 23.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.852 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.484 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -103.02 49.15 0.84 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.704 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.592 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 7.0 mtmt -47.36 -63.39 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.337 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.61 -11.78 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.804 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -106.8 147.75 29.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.501 ' HG2' ' N ' ' A' ' 669' ' ' ILE . 1.5 ttpt -80.58 145.69 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.264 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.2 mt -136.28 122.86 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.483 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.7 OUTLIER -129.55 152.1 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 111.716 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.537 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.06 160.64 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.572 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.865 ' CE2' HD13 ' A' ' 545' ' ' LEU . 90.4 m95 -93.04 132.89 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.4 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.682 ' CE1' HD21 ' A' ' 646' ' ' LEU . 77.2 m-70 -113.84 131.08 56.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' A' ' 543' ' ' LYS . 0.5 OUTLIER -79.54 108.09 12.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.612 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 642' ' ' GLY . 64.6 mt -52.55 136.76 31.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.359 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 2.0 mt-30 -118.86 163.65 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.534 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER -135.39 135.8 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -111.66 129.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.426 . . . . 0.0 111.392 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.934 ' HG ' HD13 ' A' ' 562' ' ' ILE . 15.8 tp -80.98 116.06 20.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 544' ' ' ILE . 54.4 t -115.98 130.64 70.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.287 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.794 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.3 p -115.03 117.32 30.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.4 mt -100.16 164.56 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.407 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.527 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.2 tmm? 174.34 127.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.467 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 557' ' ' LEU . 49.2 t80 -107.9 131.88 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.86 0.362 . . . . 0.0 110.744 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.6 t -99.97 80.67 2.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.131 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 553' ' ' GLN . 1.3 p -52.19 -41.23 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 552' ' ' THR . 0.5 OUTLIER -38.54 -41.79 0.7 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 555' ' ' GLY . 0.0 OUTLIER -99.17 -39.59 8.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.035 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 555' ' ' GLY . . . . . 0.509 ' N ' ' HG3' ' A' ' 554' ' ' GLN . . . 104.92 31.3 4.5 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.567 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.481 ' C ' ' CE2' ' A' ' 550' ' ' TYR . . . -133.11 163.27 24.3 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.815 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.523 ' HA ' ' CD2' ' A' ' 550' ' ' TYR . 11.7 tp -94.69 156.24 16.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.398 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.919 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.0 OUTLIER -129.12 128.92 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.025 0.44 . . . . 0.0 110.972 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.8 t -118.28 121.2 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.639 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -113.39 117.69 4.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.428 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 0.922 HD11 HD21 ' A' ' 582' ' ' LEU . 7.4 mm -97.44 95.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.934 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mp -70.34 -71.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.11 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.508 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -164.67 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 112.081 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.627 ' SG ' HD11 ' A' ' 567' ' ' LEU . 4.1 p -131.18 159.97 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.724 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 31.2 m -145.35 146.37 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.241 0.543 . . . . 0.0 112.329 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 57.57 55.63 5.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.425 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.761 ' O ' HD13 ' A' ' 603' ' ' LEU . 26.9 mt -89.53 149.52 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.773 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -73.3 148.65 43.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.396 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.606 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -113.81 109.83 19.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.636 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.3 mtm -86.04 -25.56 25.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.984 0.421 . . . . 0.0 110.765 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.17 150.53 48.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.615 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.9 -6.85 23.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -83.33 -10.37 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.98 4.82 64.65 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.222 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.606 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -124.85 -169.2 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.932 0.396 . . . . 0.0 111.795 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 0.6 OUTLIER -152.7 176.56 11.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.154 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.541 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 3.5 m-20 -123.63 62.02 23.54 Favored Pre-proline 0 N--CA 1.463 0.196 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.684 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.6 Cg_endo -68.17 144.07 61.66 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.15 2.566 . . . . 0.0 115.289 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 581' ' ' LYS . 19.7 p90 -144.73 162.02 37.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.399 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.613 HG22 HG22 ' A' ' 629' ' ' VAL . 24.4 t -114.62 129.08 71.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 119.756 -0.778 . . . . 0.0 112.851 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.635 ' CD ' ' CD1' ' A' ' 630' ' ' TRP . 0.1 OUTLIER -111.56 130.09 55.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.526 178.832 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -124.71 133.84 53.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.595 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 5.6 t90 -141.32 116.35 9.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 623' ' ' LYS . 6.8 tp -95.52 120.71 36.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.584 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.756 0.312 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.595 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.0 OUTLIER -92.51 164.69 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.835 ' HB2' HD12 ' A' ' 582' ' ' LEU . 22.7 m-70 -160.57 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.526 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.532 ' HG3' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -160.05 110.68 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.677 HG21 HG21 ' A' ' 561' ' ' ILE . 10.9 p -65.26 150.16 48.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.965 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 596' ' ' THR . 3.3 mt-30 -38.91 139.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.821 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.7 mm -75.89 119.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -96.82 74.82 2.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.588 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -64.73 139.11 58.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.442 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 65.76 61.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.747 179.342 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.86 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.8 t -178.93 147.69 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 111.216 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 567' ' ' LEU . 16.7 mt -119.46 -12.58 9.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.887 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.5 OUTLIER -132.76 49.64 4.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.431 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.86 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.2 Cg_endo -75.7 -176.99 3.27 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 123.05 2.5 . . . . 0.0 112.976 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.508 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.5 tm-20 -127.28 121.26 30.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.404 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.558 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 60.0 m-85 -87.03 -58.33 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.224 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 561' ' ' ILE . 39.8 t30 49.21 46.13 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.299 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.31 121.67 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.388 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -97.21 114.44 26.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 46.1 m-85 -96.81 178.67 5.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.228 0.537 . . . . 0.0 111.717 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.919 ' HD1' HD13 ' A' ' 558' ' ' ILE . 14.1 t80 -152.44 129.2 10.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.657 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 8.8 m-85 -108.07 156.76 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.62 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.05 58.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.084 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.896 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -121.11 142.41 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 615' ' ' ILE . 24.2 mttt -76.33 132.03 39.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.478 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.541 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 56.5 t-80 -42.66 -46.44 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 13.7 m -53.1 -24.46 10.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.896 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.7 m-20 -101.57 -27.99 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.769 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -35.44 -67.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 179.548 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.768 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.82 -57.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.772 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -62.34 -18.74 62.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.589 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.799 ' HD2' HD13 ' A' ' 615' ' ' ILE . 11.4 mmpt? -64.18 170.93 3.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.107 0.48 . . . . 0.0 111.22 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 79.1 p -151.65 102.87 2.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.394 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 646' ' ' LEU . 38.0 tp -85.91 123.28 31.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.095 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 626' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 645' ' ' GLN . 14.7 t0 -107.28 100.38 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 646' ' ' LEU . 3.2 mp -92.54 101.33 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.497 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.5 m -115.96 132.65 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.613 HG22 HG22 ' A' ' 580' ' ' VAL . 10.1 t -102.33 126.13 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.041 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.635 ' CD1' ' CD ' ' A' ' 581' ' ' LYS . 34.5 m95 -124.4 149.65 46.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.966 0.412 . . . . 0.0 111.829 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.551 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.7 OUTLIER -84.88 111.91 20.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.13 179.125 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.821 ' CD2' HD12 ' A' ' 598' ' ' ILE . 28.8 t80 -74.54 164.65 26.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.316 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 19.6 m-20 -160.03 127.59 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.507 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -79.12 137.21 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 635' ' ' GLY . . . . . 0.45 ' O ' ' HD3' ' A' ' 636' ' ' LYS . . . 73.23 -1.23 43.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.833 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 636' ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' ' 635' ' ' GLY . 8.9 mmtm -138.59 -173.64 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.0 OUTLIER -80.05 -169.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 638' ' ' ASN . 0.0 OUTLIER -105.92 176.2 5.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 74.5 m-20 -135.55 145.71 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.682 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.601 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.52 110.09 20.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 111.038 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.636 HG12 ' HE1' ' A' ' 570' ' ' MET . 54.2 mt -88.35 -38.79 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.532 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 153.55 165.34 13.49 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.058 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.97 -167.51 27.76 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.016 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.48 147.11 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.597 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 0.5 OUTLIER -94.84 163.54 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.621 HD11 ' NE2' ' A' ' 673' ' ' HIS . 38.5 mt -150.38 88.45 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.072 0.463 . . . . 0.0 111.479 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.59 144.58 15.7 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.909 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.3 tt -56.64 -15.8 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.982 0.391 . . . . 0.0 111.695 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 3.4 t -77.89 1.26 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.319 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.544 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.333 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.544 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.957 0.408 . . . . 0.0 110.762 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 648' ' ' ILE . 23.1 tp -86.32 -46.25 10.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.527 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 10.1 pttt -56.05 -52.76 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.74 ' CE1' HG22 ' A' ' 669' ' ' ILE . 4.7 t60 -62.53 -59.28 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.202 0.525 . . . . 0.0 110.584 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.7 t-105 -59.25 -82.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.239 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.909 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.98 -64.4 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.645 -179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.613 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 3.3 pt-20 -44.91 -33.56 2.03 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.932 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 21.4 t -58.82 -42.42 89.16 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.768 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -55.85 -29.64 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.05 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -83.04 -40.27 20.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.005 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.483 ' OD1' ' HE3' ' A' ' 667' ' ' LYS . 7.5 m-20 -98.27 42.17 1.1 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.541 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.1 OUTLIER -46.19 -65.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.053 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -58.39 -14.91 8.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 549' ' ' MET . 8.4 mtmt -102.65 151.55 22.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.726 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.481 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -90.83 149.36 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.076 0.465 . . . . 0.0 111.348 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.74 HG22 ' CE1' ' A' ' 657' ' ' HIS . 1.1 mt -137.65 120.96 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 18.6 pm0 -129.99 148.63 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.687 ' HG2' ' CD2' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -166.74 163.22 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.917 ' CE2' HD13 ' A' ' 545' ' ' LEU . 88.2 m95 -96.28 131.58 42.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.073 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.621 ' NE2' HD11 ' A' ' 646' ' ' LEU . 38.7 m-70 -109.72 132.07 54.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.5 100.23 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.04 0.448 . . . . 0.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.532 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 91.1 mt -44.67 128.77 6.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.581 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 1.1 mt-30 -120.78 175.92 5.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.555 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.498 ' HD3' ' CG2' ' A' ' 565' ' ' VAL . 0.1 OUTLIER -135.34 141.34 45.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 0.0 110.572 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -118.54 126.7 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.967 0.413 . . . . 0.0 111.466 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.917 HD13 ' CE2' ' A' ' 672' ' ' TRP . 15.5 tp -79.89 120.15 23.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.727 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.68 130.66 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.692 ' HB3' HD11 ' A' ' 562' ' ' ILE . 62.4 p -114.89 105.62 13.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 669' ' ' ILE . 30.6 mt -85.79 162.47 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.386 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.521 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.6 OUTLIER 175.35 123.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.32 179.639 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.479 ' HB3' ' HG2' ' A' ' 665' ' ' LYS . 45.1 t80 -100.17 128.86 46.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 111.241 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.56 77.99 1.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.822 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.406 ' H ' HG23 ' A' ' 552' ' ' THR . 1.5 p -44.7 -42.75 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 109.989 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -46.55 59.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.041 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -82.14 -18.97 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.66 34.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.534 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -159.45 166.2 34.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.7 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.558 ' HB2' HD11 ' A' ' 620' ' ' LEU . 9.1 tp -90.28 159.29 16.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.325 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.833 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -129.72 119.64 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.188 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.768 HG11 HD22 ' A' ' 582' ' ' LEU . 2.1 t -105.58 117.72 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.473 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -104.0 106.6 2.82 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.727 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 0.952 HD11 ' CD2' ' A' ' 582' ' ' LEU . 32.7 mm -87.62 91.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.768 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -71.28 -77.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.538 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 4.5 ptp180 -159.14 168.09 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 111.854 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.653 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.9 OUTLIER -123.08 161.4 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.009 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 565' ' ' VAL . . . . . 0.498 ' CG2' ' HD3' ' A' ' 543' ' ' LYS . 22.5 m -145.61 149.85 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.231 0.539 . . . . 0.0 112.167 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.519 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 2.2 t-80 55.5 48.58 18.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.306 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.998 ' O ' HD13 ' A' ' 603' ' ' LEU . 28.2 mt -83.2 144.09 30.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.761 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.14 150.08 47.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.465 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.632 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -115.92 109.15 17.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.023 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.634 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.9 mtm -86.89 -22.06 25.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 110.861 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.31 150.17 46.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.553 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.19 -7.19 21.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.279 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -83.44 -10.04 58.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.72 5.0 65.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.226 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.612 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.81 -169.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 111.878 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.607 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.6 OUTLIER -153.41 170.1 21.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.126 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 46.5 m-20 -117.81 59.89 3.22 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 41.5 Cg_endo -68.2 142.75 56.56 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.386 2.724 . . . . 0.0 115.752 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.647 ' CE2' ' CE ' ' A' ' 581' ' ' LYS . 13.5 p90 -141.92 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.367 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.664 HG22 HG22 ' A' ' 629' ' ' VAL . 28.2 t -112.62 134.84 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.829 -0.749 . . . . 0.0 112.477 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.647 ' CE ' ' CE2' ' A' ' 579' ' ' PHE . 2.6 mttp -115.83 134.66 54.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.922 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 0.952 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.9 136.78 53.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.009 0.433 . . . . 0.0 111.477 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.587 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.8 t90 -145.55 118.08 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.953 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.5 tp -94.4 110.47 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.983 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 583' ' ' TRP . 5.5 mttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.919 0.39 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.587 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.7 mmtp -70.39 155.73 40.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.584 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 14.9 m-70 -156.0 166.44 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 111.373 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.538 ' CG ' ' HD3' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.38 110.6 2.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.883 HG21 HG21 ' A' ' 561' ' ' ILE . 7.3 p -68.01 157.14 35.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.506 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 1.1 pt20 -40.36 151.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.192 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.539 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.4 mm -84.89 121.43 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.334 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.585 ' O ' HG22 ' A' ' 602' ' ' THR . 2.1 mmpt? -90.31 76.29 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.105 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 632' ' ' TYR . 8.4 mmtm -53.8 146.52 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.15 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 33.39 73.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.371 179.155 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.751 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.7 t -177.67 144.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.763 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.6 mt -118.68 -12.56 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 2.7 m-80 -127.85 46.91 2.31 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.751 ' HB3' HG21 ' A' ' 602' ' ' THR . 87.1 Cg_endo -78.26 178.55 7.45 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.863 2.376 . . . . 0.0 113.15 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.538 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 22.6 tt0 -130.76 113.73 14.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 562' ' ' ILE . 66.0 m-85 -79.65 -56.69 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 23.6 t-20 55.46 46.04 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.044 0.449 . . . . 0.0 110.06 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.29 120.16 41.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.337 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.66 106.04 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.438 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 558' ' ' ILE . 19.8 m-85 -86.84 171.53 10.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.829 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.833 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.2 t80 -144.45 122.83 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.38 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.657 ' HE1' HG21 ' A' ' 559' ' ' VAL . 7.2 m-85 -103.0 152.25 21.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -106.07 65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.891 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -134.78 139.7 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.599 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.422 ' HA ' ' OH ' ' A' ' 550' ' ' TYR . 1.7 mmmp? -74.74 136.07 41.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.588 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 55.9 t-80 -43.55 -51.24 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.7 m -49.01 -22.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.891 ' CB ' HD11 ' A' ' 615' ' ' ILE . 8.4 m-20 -104.45 -30.81 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.814 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.675 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.7 -67.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.616 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.77 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.14 -55.55 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.818 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -62.96 -17.37 61.92 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.303 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.836 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.2 mmpt? -67.84 178.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 111.066 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.6 p -153.88 103.0 2.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.399 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 646' ' ' LEU . 33.1 tp -80.4 140.45 36.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.936 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 626' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 2.9 t70 -124.5 97.71 5.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -92.11 96.8 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 53.6 p -111.98 131.35 55.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.444 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.664 HG22 HG22 ' A' ' 580' ' ' VAL . 10.5 t -104.0 127.16 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.188 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.591 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 44.1 m95 -123.22 147.56 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.422 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.82 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.2 OUTLIER -86.25 110.69 19.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.76 ' HE1' HG23 ' A' ' 634' ' ' ILE . 30.0 t80 -61.6 164.05 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.1 OUTLIER -159.31 128.44 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.76 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.55 141.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.7 -3.83 54.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -167.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 0.1 OUTLIER -80.02 -174.91 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 -166.1 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 631' ' ' ASP . 21.1 m-20 -147.31 144.92 29.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.92 108.5 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.82 HD11 ' HB2' ' A' ' 631' ' ' ASP . 67.3 mt -87.39 -39.98 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.59 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.35 165.4 12.89 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -170.13 -160.21 17.9 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.581 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.61 154.28 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.49 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 5.9 mt-30 -97.73 157.2 16.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 627' ' ' ILE . 26.1 mt -143.69 93.55 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.244 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.44 141.56 11.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.106 -0.568 . . . . 0.0 111.744 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.856 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.0 OUTLIER -57.2 -13.79 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.149 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 2.9 t -88.03 15.63 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 109.962 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.533 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.355 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.533 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.971 0.415 . . . . 0.0 110.641 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.0 tp -90.28 -52.3 5.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 11.4 mttm -48.86 -62.69 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.259 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.613 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 5.6 t-80 -54.2 -56.36 19.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 0.0 110.586 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -60.4 -78.43 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.189 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.823 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -42.29 -64.93 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.393 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.579 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -44.33 -30.57 0.85 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.092 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 8.0 t -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.77 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -58.45 -25.55 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.23 178.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -44.04 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.076 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 1.9 m-20 -100.58 39.38 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.588 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -37.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.2 -22.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 549' ' ' MET . 17.8 mmtm -94.69 142.48 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 0.0 110.77 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.457 ' HE3' ' HB3' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -79.57 137.43 37.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 111.126 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.587 HG22 ' CD2' ' A' ' 657' ' ' HIS . 0.8 OUTLIER -123.78 114.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.478 179.748 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.2 OUTLIER -120.51 150.01 41.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 111.608 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.613 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -172.11 145.63 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.919 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.917 ' CE2' HD13 ' A' ' 545' ' ' LEU . 92.1 m95 -81.33 131.36 35.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.406 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.647 ' NE2' HD11 ' A' ' 646' ' ' LEU . 78.7 m-70 -110.84 130.48 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.36 107.68 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 642' ' ' GLY . 90.0 mt -49.93 129.32 20.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.182 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -117.79 164.9 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.807 -0.117 . . . . 0.0 112.807 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 674' ' ' GLN . 6.6 mtmm -132.74 139.94 47.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.656 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -117.74 127.8 75.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.994 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.3 tp -80.27 131.11 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.562 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 50.7 t -130.46 135.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.533 ' HB3' HD11 ' A' ' 562' ' ' ILE . 26.3 p -115.48 111.15 20.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.397 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 658' ' ' TRP . 16.1 mt -91.45 164.22 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.936 0.398 . . . . 0.0 111.43 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 558' ' ' ILE . 0.8 OUTLIER 175.38 138.16 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.034 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.715 ' HB3' ' HZ2' ' A' ' 665' ' ' LYS . 46.1 t80 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 111.223 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.28 82.55 2.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.0 OUTLIER -50.38 -33.2 19.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.311 0.577 . . . . 0.0 109.843 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -56.38 -48.15 77.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.687 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 612' ' ' PHE . 21.4 mt-30 -83.49 -16.25 46.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.933 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.57 40.36 54.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.446 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.68 166.8 32.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.61 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.538 ' HA ' ' CD1' ' A' ' 550' ' ' TYR . 12.5 tp -92.77 159.27 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.856 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -128.01 123.77 61.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.002 0.429 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.797 HG11 HD22 ' A' ' 582' ' ' LEU . 4.9 t -112.85 119.41 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -109.87 122.24 6.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.597 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.024 HD11 HD21 ' A' ' 582' ' ' LEU . 33.4 mm -102.57 97.71 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.949 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.8 mp -73.81 -75.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.494 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.4 OUTLIER -159.55 172.41 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 111.92 -179.088 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 567' ' ' LEU . 2.3 p -128.69 159.64 34.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.042 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 34.1 m -142.17 145.53 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.518 . . . . 0.0 112.348 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.68 56.34 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.318 179.541 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.935 ' O ' HD13 ' A' ' 603' ' ' LEU . 47.1 mt -88.93 151.13 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.38 155.11 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.41 118.2 36.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.495 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -85.9 -21.07 28.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.94 162.92 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.2 -5.21 48.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -11.09 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.746 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.81 6.44 59.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.569 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -120.93 -168.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.785 0.326 . . . . 0.0 111.747 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.525 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.5 OUTLIER -158.2 175.94 13.12 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.063 0.458 . . . . 0.0 111.639 -179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 6.2 m-20 -119.98 58.07 5.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.649 ' HB3' HD12 ' A' ' 641' ' ' ILE . 37.4 Cg_endo -67.27 146.05 74.27 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 123.489 2.793 . . . . 0.0 115.473 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.566 ' CE2' ' HD2' ' A' ' 581' ' ' LYS . 16.1 p90 -145.4 159.93 42.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.804 -1.544 . . . . 0.0 107.756 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.577 ' O ' HG23 ' A' ' 596' ' ' THR . 25.6 t -109.3 133.1 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.871 -0.731 . . . . 0.0 111.958 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -118.23 130.74 56.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.171 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.024 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -120.68 142.07 49.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.537 -178.808 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.56 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.7 t90 -148.69 113.49 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.186 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 623' ' ' LYS . 12.0 tp -90.59 137.44 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.791 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 623' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.794 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.689 0.281 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 24.3 mttt -70.41 158.15 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.615 ' HB2' HD12 ' A' ' 582' ' ' LEU . 16.3 m-70 -143.24 173.31 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.478 ' HG3' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -155.99 114.64 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.22 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.1 p -73.16 164.84 26.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.246 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.529 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 7.3 pt20 -43.93 139.6 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.569 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -80.87 122.95 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.714 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -100.82 80.31 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.272 0.558 . . . . 0.0 109.939 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.621 ' HE2' HD12 ' A' ' 634' ' ' ILE . 13.6 mmtm -50.62 152.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.123 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.434 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.8 mmmt 32.04 77.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.357 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.777 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.5 t -178.99 141.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.935 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.2 mt -116.82 -11.98 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.526 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 21.1 m-80 -129.71 49.33 4.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.777 ' HB3' HG21 ' A' ' 602' ' ' THR . 98.2 Cg_endo -79.48 -178.7 4.78 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 123.013 2.475 . . . . 0.0 113.11 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.494 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.4 tm-20 -132.62 117.02 17.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.322 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 580' ' ' VAL . 55.4 m-85 -85.2 -57.63 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.309 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 561' ' ' ILE . 16.9 t-20 53.2 49.46 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.073 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.443 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 6.6 mm-40 -108.11 132.64 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.251 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -106.45 112.78 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.565 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 41.3 m-85 -93.33 172.75 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.856 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.0 t80 -144.55 123.59 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.294 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.582 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 8.3 m-85 -105.73 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.76 63.49 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.862 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -127.47 138.76 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.671 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.21 131.88 44.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.244 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.624 ' CD2' ' HE2' ' A' ' 665' ' ' LYS . 57.1 t-80 -43.81 -46.01 7.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -25.17 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.862 ' CB ' HD11 ' A' ' 615' ' ' ILE . 1.2 m-20 -100.57 -29.37 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.634 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.88 -68.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.812 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.831 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.78 -53.88 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.075 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.0 67.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.496 -179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.3 mmpt? -62.37 167.39 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.44 102.23 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.39 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.492 HD21 ' CG1' ' A' ' 559' ' ' VAL . 48.8 tp -79.85 122.75 27.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.136 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -106.85 97.85 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.685 ' CD1' HD12 ' A' ' 646' ' ' LEU . 3.1 mp -91.13 103.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.493 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 31.0 m -118.29 133.23 56.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.113 0.482 . . . . 0.0 111.804 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.634 ' CG2' HD21 ' A' ' 675' ' ' LEU . 6.9 t -101.11 126.38 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.088 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.659 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 37.4 m95 -124.52 148.21 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.565 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.614 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -85.69 116.96 24.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.731 ' HE1' HG23 ' A' ' 634' ' ' ILE . 50.7 t80 -66.69 167.78 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.502 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.624 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 3.2 m-20 -159.04 123.13 3.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.602 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.731 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.17 128.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.21 -6.04 57.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.586 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -137.51 -173.76 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -82.8 159.59 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.458 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 66.0 m-20 -78.71 -177.38 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.49 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 40.4 m-20 -139.81 150.37 44.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.659 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.81 114.15 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' A' ' 578' ' ' PRO . 11.3 mt -90.8 -39.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.867 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.663 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.82 160.1 9.32 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.331 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -160.2 -169.25 23.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.825 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.96 148.08 16.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.345 . . . . 0.0 110.586 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 56.2 mt-30 -96.03 147.3 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.888 HD11 ' NE2' ' A' ' 673' ' ' HIS . 22.0 mt -135.33 88.9 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -133.45 145.07 17.14 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.882 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -60.13 -13.14 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 116.983 0.391 . . . . 0.0 111.573 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -86.38 13.27 8.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.15 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.319 -179.679 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.509 ' HB3' HD23 ' A' ' 646' ' ' LEU . 2.7 mtt-85 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.946 0.403 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 648' ' ' ILE . 18.4 tp -80.34 -48.81 12.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 13.2 mttm -50.22 -45.08 53.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.036 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.528 ' ND1' ' HB2' ' A' ' 671' ' ' ARG . 19.9 t-160 -74.68 -67.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.975 0.417 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 42.6 t-105 -43.31 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.766 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.882 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -40.04 -54.24 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.474 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.777 ' HB3' HD12 ' A' ' 669' ' ' ILE . 7.3 mm-40 -37.41 -46.13 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.525 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.521 ' O ' ' NZ ' ' A' ' 665' ' ' LYS . 34.6 t -50.2 -40.45 47.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.307 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.831 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -64.96 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.969 179.598 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.477 ' HD2' ' OE2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -78.32 -39.19 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.302 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -116.86 102.61 9.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.288 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.715 ' HZ2' ' HB3' ' A' ' 550' ' ' TYR . 0.0 OUTLIER -89.01 -72.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.588 -179.697 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -39.36 -28.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.4 mtmt -105.1 146.55 28.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -98.34 162.93 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.37 -179.563 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -123.39 114.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.202 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.491 ' HG3' ' HB3' ' A' ' 547' ' ' SER . 0.0 OUTLIER -103.94 131.23 51.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.935 0.398 . . . . 0.0 111.167 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.528 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 2.2 mmt-85 -154.09 162.8 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.502 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.994 ' NE1' HD13 ' A' ' 545' ' ' LEU . 78.8 m95 -103.75 132.6 49.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.725 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.888 ' NE2' HD11 ' A' ' 646' ' ' LEU . 69.5 m-70 -114.21 129.77 56.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 676' ' ' GLN . 4.1 mt-30 -78.21 102.02 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.1 mt -44.51 129.28 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 674' ' ' GLN . 37.2 mm-40 -120.07 166.57 13.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.629 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 12.3 t30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.567 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.423 0 N-CA-C 112.709 -0.156 . . . . 0.0 112.709 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 7.6 mtmt -130.53 137.75 49.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -114.02 126.84 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 111.409 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.907 HD13 ' CE2' ' A' ' 672' ' ' TRP . 14.0 tp -79.28 116.58 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.759 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 627' ' ' ILE . 42.7 t -119.49 135.97 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.522 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 30.3 t -115.71 144.13 44.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.672 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.533 ' CD1' ' HA ' ' A' ' 658' ' ' TRP . 15.4 mt -117.35 162.08 18.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 111.174 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.535 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.9 OUTLIER 176.45 114.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.493 ' HB3' ' HG3' ' A' ' 665' ' ' LYS . 47.1 t80 -95.51 132.52 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 111.151 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.81 79.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.3 p -45.69 -41.25 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -47.01 60.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.201 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.24 -19.03 37.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.5 38.75 32.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.43 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.96 170.45 34.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.633 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 7.0 tp -94.57 155.12 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 0.0 110.627 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.845 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.6 mm -123.77 119.56 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.889 0.376 . . . . 0.0 110.714 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.649 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.8 t -106.33 121.05 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.39 111.42 3.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.325 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.002 HD11 ' CD2' ' A' ' 582' ' ' LEU . 49.3 mm -88.67 102.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.622 HD13 ' CD2' ' A' ' 545' ' ' LEU . 1.6 mt -78.94 -76.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 606' ' ' GLU . 1.9 ptm180 -158.35 173.5 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.04 0.448 . . . . 0.0 111.76 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.6 p -130.44 159.9 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.042 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.06 150.97 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.404 0.621 . . . . 0.0 112.534 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.527 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.509 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.761 ' O ' HD13 ' A' ' 603' ' ' LEU . 33.1 mt -83.72 155.1 23.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.868 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.557 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -75.54 166.39 23.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.508 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -108.27 120.8 43.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.544 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -90.88 -17.74 25.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.199 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -103.65 164.12 11.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.023 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.18 -3.63 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.193 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 -11.06 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.508 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 91.73 11.56 60.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.294 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.705 ' HA ' HD21 ' A' ' 603' ' ' LEU . 2.9 m-85 -125.19 -169.21 1.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 111.814 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 17.2 m -153.99 177.75 10.7 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.23 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 578' ' ' PRO . 2.1 m-20 -127.94 55.29 15.83 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.525 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 38.9 Cg_endo -68.17 143.47 59.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.569 2.846 . . . . 0.0 115.406 -177.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 22.4 p90 -138.6 161.68 36.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 113.974 -1.466 . . . . 0.0 107.425 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 629' ' ' VAL . 48.8 t -111.76 132.72 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.764 -0.775 . . . . 0.0 112.785 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 9.5 mttm -117.14 131.61 56.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.562 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.002 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.12 143.98 47.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.034 0.445 . . . . 0.0 111.748 -178.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.578 ' CE3' ' HE3' ' A' ' 585' ' ' LYS . 4.3 t90 -151.65 114.63 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.176 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.592 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.7 tp -90.03 111.39 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.223 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.578 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.56 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.467 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 2.5 mttt -77.89 165.56 23.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 8.8 m-70 -160.3 172.08 17.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.12 0.486 . . . . 0.0 111.703 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.25 120.57 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.057 179.464 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.686 HG21 HG21 ' A' ' 561' ' ' ILE . 5.7 p -78.54 172.49 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.064 0.459 . . . . 0.0 111.263 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -51.17 151.9 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.55 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -83.73 129.38 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.397 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 602' ' ' THR . 3.3 mmpt? -98.88 74.85 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.08 0.467 . . . . 0.0 110.143 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.58 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 18.5 mmtm -51.65 140.63 18.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.285 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.513 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 34.27 82.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.823 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.861 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.1 t 178.09 139.15 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.9 mt -109.52 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.408 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -136.56 54.03 8.48 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.861 ' HB3' HG21 ' A' ' 602' ' ' THR . 87.6 Cg_endo -79.16 -170.46 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.813 2.342 . . . . 0.0 113.145 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 563' ' ' ARG . 1.2 tt0 -134.0 122.37 22.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.348 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.611 ' CE2' HG23 ' A' ' 580' ' ' VAL . 63.4 m-85 -88.84 -59.14 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.267 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.7 t-20 54.98 49.2 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.445 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.0 OUTLIER -109.13 136.62 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -109.1 111.92 23.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.71 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 35.9 m-85 -95.84 174.03 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.126 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.845 ' HD1' HD13 ' A' ' 558' ' ' ILE . 6.1 t80 -146.55 127.33 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.528 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.649 ' CE1' HG21 ' A' ' 559' ' ' VAL . 8.7 m-85 -107.81 156.55 19.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.38 60.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.894 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -124.41 145.5 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 615' ' ' ILE . 5.1 mmtt -75.67 130.94 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.53 ' NE2' ' HD2' ' A' ' 665' ' ' LYS . 47.9 t-80 -43.57 -45.92 6.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -20.12 56.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.894 ' CB ' HD11 ' A' ' 615' ' ' ILE . 32.0 m-20 -99.57 -28.56 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.609 HD23 HG12 ' A' ' 615' ' ' ILE . 0.2 OUTLIER -34.52 -66.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.756 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -40.8 -48.04 2.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.641 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.61 63.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.098 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.775 ' HE3' HD13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -73.0 -176.48 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.4 p -159.83 104.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.048 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 21.3 tp -79.44 149.53 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.95 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 2.5 t70 -132.56 96.77 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.614 HG21 HG21 ' A' ' 546' ' ' VAL . 2.7 mp -92.19 98.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.525 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 28.6 m -113.76 129.94 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.638 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 580' ' ' VAL . 14.6 t -98.88 120.86 48.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.289 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 39.6 m95 -118.07 149.03 41.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.876 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.4 OUTLIER -87.55 138.01 31.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.321 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 23.0 t80 -90.44 164.44 14.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.201 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -157.96 131.79 7.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.532 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.06 124.9 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.046 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.44 -9.35 67.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.31 -169.08 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 638' ' ' ASN . 15.6 p -97.8 144.02 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 637' ' ' SER . 1.1 p30 -52.69 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 630' ' ' TRP . 1.7 m-20 -149.95 156.68 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.69 118.35 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.876 HD11 ' HB2' ' A' ' 631' ' ' ASP . 76.4 mt -97.49 -44.95 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.639 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 160.82 159.29 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.43 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.89 -163.05 19.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.787 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.16 166.21 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.307 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -112.92 134.67 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.855 HD11 ' NE2' ' A' ' 673' ' ' HIS . 8.5 mt -117.81 98.7 6.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.314 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.51 144.51 14.53 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.534 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.922 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -58.54 -13.77 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 120.87 0.367 . . . . 0.0 111.642 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.9 t -85.48 12.12 9.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.151 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.167 -179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.524 ' HB3' HD23 ' A' ' 646' ' ' LEU . 3.6 mtm180 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.4 tp -56.58 -45.14 81.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.935 0.397 . . . . 0.0 110.49 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 65.0 mttm -58.01 -42.67 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.721 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.527 ' ND1' ' HG2' ' A' ' 671' ' ' ARG . 9.0 t-160 -72.06 -65.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.487 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.0 t-105 -48.59 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.922 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.4 OUTLIER -33.68 -53.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.376 179.493 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.917 ' HB3' HD12 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -38.09 -47.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.074 0.464 . . . . 0.0 110.444 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 22.8 t -45.84 -39.36 8.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.756 HD21 ' H ' ' A' ' 621' ' ' ALA . 2.1 mp -68.12 -28.41 67.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.641 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 660' ' ' GLU . 1.9 mtpt -86.9 -44.49 11.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.469 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -108.07 56.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.633 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.53 ' HD2' ' NE2' ' A' ' 617' ' ' HIS . 2.2 mppt? -42.77 -89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.94 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.549 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.6 mmtp -80.01 161.01 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -101.54 142.0 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.917 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.2 mm -124.53 93.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.191 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 17.1 pm0 -108.71 141.9 40.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.127 0.489 . . . . 0.0 111.563 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.579 ' HD2' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -166.18 162.23 17.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.675 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.907 ' CE2' HD13 ' A' ' 545' ' ' LEU . 95.5 m95 -90.91 130.56 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.002 0.43 . . . . 0.0 111.657 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.855 ' NE2' HD11 ' A' ' 646' ' ' LEU . 52.9 m-70 -111.68 131.42 55.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.651 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -77.59 113.17 15.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.587 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 642' ' ' GLY . 82.1 mt -53.65 129.26 32.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.508 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 643' ' ' GLY . 0.9 OUTLIER -123.04 163.32 20.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.539 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.055 -179.874 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.688 -0.165 . . . . 0.0 112.688 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 131.0 53.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -109.39 129.33 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 111.454 -179.708 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.825 HD13 ' CE2' ' A' ' 672' ' ' TRP . 16.7 tp -79.92 115.29 19.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.642 HG21 HG21 ' A' ' 627' ' ' ILE . 37.5 t -117.88 135.3 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.0 OUTLIER -111.04 142.45 43.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.7 mt -120.12 156.67 30.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.429 . . . . 0.0 111.213 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 558' ' ' ILE . 4.8 tmm? 177.6 127.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.133 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.2 t80 -106.56 132.72 52.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.044 0.45 . . . . 0.0 111.302 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 79.8 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.827 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.446 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.3 p -45.76 -41.2 10.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 110.188 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -45.9 55.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.224 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -85.75 -19.22 31.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.713 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.18 38.97 33.16 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.497 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.96 167.66 32.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.571 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.6 tp -94.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.87 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.1 mm -125.35 120.0 56.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.799 HG11 HD22 ' A' ' 582' ' ' LEU . 2.2 t -106.87 120.48 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -106.59 108.51 2.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.601 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 0.925 HD11 ' CD2' ' A' ' 582' ' ' LEU . 28.2 mm -86.88 96.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.697 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mt -75.72 -77.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -157.73 170.18 22.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 111.773 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.0 OUTLIER -126.17 160.47 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.333 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.0 m -142.98 146.13 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 112.173 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.517 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 54.12 58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.386 179.441 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.994 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.2 mt -90.5 152.21 21.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.38 45.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.495 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -107.43 118.26 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.503 ' N ' ' OG ' ' A' ' 576' ' ' SER . 10.1 mmt -87.9 -21.81 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.04 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -10.81 58.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.785 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.64 8.36 59.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -120.37 -168.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.557 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.669 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.5 OUTLIER -160.79 170.28 21.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.067 0.461 . . . . 0.0 111.583 -179.566 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.534 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 5.2 m-20 -117.07 59.73 2.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.707 ' HB3' HD12 ' A' ' 641' ' ' ILE . 36.5 Cg_endo -67.28 145.5 72.32 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 123.359 2.706 . . . . 0.0 115.28 -177.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.4 p90 -141.83 161.37 38.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.965 -1.47 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.542 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 24.3 t -113.42 132.71 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.39 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.493 ' HG2' ' HB2' ' A' ' 595' ' ' LYS . 0.8 OUTLIER -115.34 134.6 54.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.711 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 0.925 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.2 OUTLIER -122.62 137.99 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.939 0.4 . . . . 0.0 111.559 -179.278 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.583 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.0 t90 -145.96 117.69 8.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.966 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 623' ' ' LYS . 15.4 tp -94.72 113.45 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.717 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.942 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.425 ' HB3' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.583 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.4 mmtp -61.83 150.02 38.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 4.7 m-70 -147.6 172.73 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.394 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.493 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.1 OUTLIER -159.67 132.87 6.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.246 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.861 HG21 HG21 ' A' ' 561' ' ' ILE . 33.9 p -89.72 167.37 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.98 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -51.81 139.19 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.742 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.9 mm -77.96 119.97 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.608 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.628 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.66 83.9 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.466 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.599 ' HE2' HD12 ' A' ' 634' ' ' ILE . 1.3 mmtm -63.64 152.34 39.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.098 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 602' ' ' THR . 1.7 mmtm 44.65 66.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.886 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.785 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.3 t -178.16 144.13 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 111.131 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.994 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.4 mt -118.65 -11.53 9.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 1.1 m-80 -129.99 47.25 2.71 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.456 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.785 ' HB3' HG21 ' A' ' 602' ' ' THR . 72.6 Cg_endo -76.23 -175.78 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.961 2.441 . . . . 0.0 113.002 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.6 tt0 -132.41 116.95 17.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.542 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 64.3 m-85 -82.59 -56.84 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.1 OUTLIER 52.15 47.45 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 -179.486 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 561' ' ' ILE . 0.8 OUTLIER -108.91 130.09 55.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.352 -179.401 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.51 108.41 19.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.538 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 19.3 m-85 -90.32 174.06 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.935 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.87 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.9 t80 -146.87 128.15 14.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.606 ' HE1' HG21 ' A' ' 559' ' ' VAL . 8.9 m-85 -107.65 153.9 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.002 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -108.54 62.5 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.111 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.893 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -128.32 145.56 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.653 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.438 ' N ' HG13 ' A' ' 615' ' ' ILE . 2.6 mptt -76.9 131.64 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.584 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 51.8 t-80 -41.67 -51.23 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -17.27 3.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.37 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.893 ' CB ' HD11 ' A' ' 615' ' ' ILE . 84.0 m-20 -105.16 -29.13 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.589 HD23 HG12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.66 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 179.566 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.873 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -33.83 -53.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.103 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -65.01 -26.35 68.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.77 0.319 . . . . 0.0 111.464 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.788 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -56.7 -176.03 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.1 0.476 . . . . 0.0 111.145 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 29.5 p -159.19 103.69 1.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.289 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 627' ' ' ILE . 29.0 tp -79.69 147.81 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.918 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 626' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 12.6 t0 -130.78 93.24 3.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 546' ' ' VAL . 2.2 mp -88.66 102.72 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.499 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 50.4 p -117.85 131.22 56.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.057 0.456 . . . . 0.0 111.777 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 580' ' ' VAL . 10.9 t -102.13 122.17 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.238 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.66 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 42.8 m95 -121.64 150.55 41.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 111.417 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.479 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -83.85 128.15 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.852 179.225 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.742 ' CG ' HG21 ' A' ' 598' ' ' ILE . 30.4 t80 -90.73 159.72 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.298 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.544 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.3 OUTLIER -160.22 127.85 4.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.599 HD12 ' HE2' ' A' ' 600' ' ' LYS . 0.0 OUTLIER -79.64 136.29 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 84.02 -17.41 27.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.95 -173.21 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 60.7 p -79.84 -162.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.89 172.54 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 631' ' ' ASP . 0.9 OUTLIER -130.96 154.39 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.712 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.66 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -94.46 114.45 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' A' ' 578' ' ' PRO . 26.8 mt -92.36 -38.15 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.493 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.29 160.85 9.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -163.94 -161.5 13.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.682 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.76 159.59 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.827 0.346 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -107.8 134.89 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.724 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.533 HD11 ' HE2' ' A' ' 673' ' ' HIS . 8.9 mt -123.51 104.54 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -146.12 146.23 16.08 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.898 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.4 tt -62.9 -10.32 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.003 0.43 . . . . 0.0 111.238 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -88.3 13.55 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.248 -179.7 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.491 ' HB3' HD23 ' A' ' 646' ' ' LEU . 4.1 mtm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.713 0.292 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 648' ' ' ILE . 15.7 tp -55.0 -38.0 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 110.647 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.1 OUTLIER -59.51 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.478 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 21.1 t-160 -66.82 -52.38 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.939 0.4 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 60.6 t-105 -61.94 -61.97 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.885 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.668 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -59.6 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.264 -178.807 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.567 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.5 pt-20 -42.78 -33.34 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 1.6 t -62.87 -41.58 99.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.873 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -54.64 -37.79 66.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.042 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 1.2 pttt -72.0 -41.05 68.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 33.8 m-20 -103.68 87.88 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.377 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.1 OUTLIER -79.14 -70.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.7 -17.76 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.4 mtmm -94.57 135.92 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -79.9 153.37 29.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.162 0.506 . . . . 0.0 111.473 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -135.78 143.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.271 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 3.3 pm0 -150.5 148.55 28.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 111.555 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.484 ' HG3' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -173.88 149.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.825 ' CE2' HD13 ' A' ' 545' ' ' LEU . 91.4 m95 -79.18 129.13 34.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.287 0.565 . . . . 0.0 111.659 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.623 ' CE1' ' HB ' ' A' ' 546' ' ' VAL . 0.1 OUTLIER -105.75 129.57 53.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.312 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.41 114.03 15.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 642' ' ' GLY . 94.7 mt -58.85 128.84 39.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.467 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.478 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 3.1 mm-40 -117.22 174.19 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.427 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.522 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.658 -0.177 . . . . 0.0 112.658 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -126.08 138.8 53.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.534 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -118.23 127.46 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.227 0.537 . . . . 0.0 111.991 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.942 ' HG ' HD13 ' A' ' 562' ' ' ILE . 18.7 tp -79.71 113.68 18.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.339 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.618 HG21 HG21 ' A' ' 627' ' ' ILE . 78.7 t -112.12 135.53 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.255 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.1 OUTLIER -110.17 139.61 45.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.42 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.672 ' HG ' ' CE1' ' A' ' 657' ' ' HIS . 16.6 mt -122.49 148.56 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.267 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 5.0 tmm? -173.91 118.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.4 t80 -97.08 131.04 44.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' SER . . . . . 0.478 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -100.7 78.63 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.931 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 552' ' ' THR . 1.3 p -46.31 -41.86 13.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -45.88 52.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.32 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -86.2 -16.87 36.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.35 39.3 36.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.42 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.3 169.3 33.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.634 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.521 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.9 tp -94.6 157.44 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.68 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.831 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.4 mm -127.57 117.59 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.67 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.863 HG11 HD22 ' A' ' 582' ' ' LEU . 2.0 t -104.13 116.81 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 547' ' ' SER . . . -105.88 105.82 2.5 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.403 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.063 HD11 HD21 ' A' ' 582' ' ' LEU . 8.3 mm -85.24 106.19 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.942 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -80.97 -77.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.501 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -156.64 171.24 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 111.71 -179.195 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 7.4 p -130.23 158.36 39.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.23 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.95 154.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.287 0.565 . . . . 0.0 112.387 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.69 41.01 12.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.358 179.346 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.666 ' O ' HD13 ' A' ' 603' ' ' LEU . 13.6 mt -80.85 155.59 26.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.438 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -82.84 165.51 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.361 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.598 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -128.42 109.8 11.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.643 ' HE1' HG12 ' A' ' 641' ' ' ILE . 3.0 mtm -85.64 -25.75 26.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.394 . . . . 0.0 110.811 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.13 151.75 47.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.626 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.49 -5.54 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -84.0 -10.92 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.819 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.59 4.18 64.07 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.353 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.598 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -124.72 -169.63 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 111.992 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.488 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.6 OUTLIER -152.45 178.32 9.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.179 -179.686 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 11.4 m-20 -124.96 58.46 18.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.808 ' HB3' HD12 ' A' ' 641' ' ' ILE . 34.3 Cg_endo -66.53 144.26 72.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 123.399 2.732 . . . . 0.0 115.289 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 630' ' ' TRP . 17.0 p90 -144.35 160.27 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 113.979 -1.464 . . . . 0.0 107.727 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.676 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 21.2 t -110.22 128.9 66.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.194 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.14 130.85 56.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.951 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.063 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.91 133.7 55.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 -179.041 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.552 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.6 t90 -140.68 115.81 9.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.008 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.616 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.2 tp -87.33 105.35 17.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.634 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.963 -179.77 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.838 0.351 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.548 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 17.3 mttt -77.56 163.18 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 11.3 m170 -160.07 173.39 15.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.97 0.414 . . . . 0.0 111.715 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.487 ' HG3' ' HE2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.36 114.7 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.77 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.618 HG22 ' CE1' ' A' ' 611' ' ' PHE . 5.2 p -73.87 176.11 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.384 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -50.05 138.99 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.349 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.553 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.8 119.73 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.581 ' O ' HG22 ' A' ' 602' ' ' THR . 11.7 mmpt? -90.78 72.94 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.597 ' HE2' ' CE1' ' A' ' 632' ' ' TYR . 2.5 mmtp -64.23 142.97 58.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.609 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 49.33 65.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.698 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.817 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.3 t -179.96 147.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.834 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.9 mt -119.07 -12.81 9.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.501 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 12.3 m-80 -130.89 49.73 5.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.817 ' HB3' HG21 ' A' ' 602' ' ' THR . 96.9 Cg_endo -78.53 -173.32 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.071 2.514 . . . . 0.0 113.471 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.8 tt0 -132.76 124.97 29.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.346 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.826 ' HB2' HG22 ' A' ' 561' ' ' ILE . 64.7 m-85 -89.41 -58.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 51.35 48.87 22.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.044 0.449 . . . . 0.0 110.21 -179.45 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.2 mm-40 -108.84 138.2 45.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.052 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 610' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 610' ' ' GLU . 16.6 pt-20 -110.35 110.34 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' A' ' 596' ' ' THR . 40.0 m-85 -93.09 171.0 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.266 0.555 . . . . 0.0 112.316 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.831 ' HD1' HD13 ' A' ' 558' ' ' ILE . 3.6 t80 -143.73 121.93 12.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.413 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.696 ' HE1' HG21 ' A' ' 559' ' ' VAL . 9.6 m-85 -104.7 153.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.728 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 62.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.004 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.864 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -127.88 137.7 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 130.27 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.492 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.9 t-80 -42.43 -45.18 4.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -24.1 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.864 ' CB ' HD11 ' A' ' 615' ' ' ILE . 59.1 m-20 -104.15 -27.63 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.568 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -37.05 -66.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.303 179.641 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.793 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -36.56 -51.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.692 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -24.47 66.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.443 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.749 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.1 mmpt? -62.18 170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.2 p -142.06 103.24 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.344 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.476 ' CD2' HD21 ' A' ' 548' ' ' LEU . 50.6 tp -79.8 116.63 20.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.952 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -106.39 97.81 7.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.618 HG21 HG21 ' A' ' 546' ' ' VAL . 3.4 mp -91.32 100.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 2.2 m -113.36 135.65 53.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.554 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.637 ' CG2' HD21 ' A' ' 675' ' ' LEU . 15.9 t -102.42 124.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.095 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.625 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 54.4 m95 -122.3 146.96 46.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.646 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.57 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -86.12 120.35 27.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.395 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.697 ' HE1' HG23 ' A' ' 634' ' ' ILE . 26.9 t80 -76.09 161.24 29.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.079 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.584 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.12 128.84 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.69 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.697 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.3 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -15.79 58.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.423 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.92 -162.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.52 173.66 10.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.16 -171.6 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.1 m-20 -137.35 156.29 48.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.625 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.08 116.28 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.808 HD12 ' HB3' ' A' ' 578' ' ' PRO . 15.7 mt -95.55 -37.73 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.66 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 149.49 161.0 9.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.418 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.71 -169.77 26.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.787 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 166.3 32.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.817 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.481 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.9 mt-30 -112.48 143.76 43.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.796 HD11 ' NE2' ' A' ' 673' ' ' HIS . 16.7 mt -134.71 88.86 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.05 142.57 13.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.702 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.96 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.6 tt -59.4 -14.06 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 117.041 0.421 . . . . 0.0 111.383 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.0 t -80.22 1.85 26.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.161 -179.88 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.546 ' HB3' HD23 ' A' ' 646' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.862 0.363 . . . . 0.0 110.789 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.96 HD12 ' HA ' ' A' ' 648' ' ' ILE . 12.6 tp -69.96 -48.79 56.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.6 mtmt -45.61 -70.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.139 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.672 ' CE1' ' HG ' ' A' ' 548' ' ' LEU . 0.7 OUTLIER -52.67 -50.61 62.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.77 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 63.8 t-105 -61.6 -75.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.586 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -49.15 -61.77 1.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.813 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.558 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.3 pt-20 -41.82 -32.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.193 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 23.6 t -62.41 -44.76 95.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.793 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -52.44 -28.51 20.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 12.1 pttt -83.87 -46.57 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.877 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.529 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 4.2 m-20 -95.47 38.38 1.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.495 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 550' ' ' TYR . 1.0 OUTLIER -39.35 -71.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.057 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 666' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 667' ' ' LYS . 3.0 p-10 -48.72 -23.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.3 mtpt -94.86 137.39 33.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.515 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.9 OUTLIER -82.65 144.56 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.409 -179.556 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.558 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -123.34 157.27 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -154.68 135.85 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.477 ' HG3' ' HB2' ' A' ' 657' ' ' HIS . 2.6 mmt180 -154.33 166.16 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.342 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.835 ' CE2' HD13 ' A' ' 545' ' ' LEU . 83.8 m95 -103.22 131.6 50.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.692 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.796 ' NE2' HD11 ' A' ' 646' ' ' LEU . 75.3 m-70 -117.93 130.07 56.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.086 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 34.1 mt-30 -77.25 108.84 10.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.185 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.2 mt -49.67 128.78 18.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.375 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 49.3 mt-30 -125.19 159.64 31.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 120.859 0.144 . . . . 0.0 112.97 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -127.95 137.83 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.498 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -114.37 128.29 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.438 . . . . 0.0 111.651 -179.568 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.941 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.4 tp -79.51 123.32 27.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.561 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.31 134.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.251 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.582 ' HB3' HD11 ' A' ' 562' ' ' ILE . 54.6 p -116.91 111.86 20.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 55.1 mt -95.41 162.31 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 111.519 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.516 ' SD ' ' CB ' ' A' ' 668' ' ' LYS . 30.3 ttp 175.94 125.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.229 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 59.5 t80 -103.17 130.62 50.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.458 . . . . 0.0 111.322 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.82 76.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.834 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.488 HG22 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -43.01 -38.3 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.4 tp60 -53.78 -54.9 31.68 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.504 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 58.4 mt-30 -75.62 -15.23 60.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.548 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.83 41.45 62.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.65 168.3 33.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.569 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.53 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.2 tp -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.839 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -125.99 119.38 54.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.675 HG11 HD22 ' A' ' 582' ' ' LEU . 2.3 t -105.81 118.17 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.464 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -106.7 110.55 3.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.386 -0.911 . . . . 0.0 113.607 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.054 HD11 HD21 ' A' ' 582' ' ' LEU . 26.6 mm -90.36 99.16 9.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.922 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.6 mp -79.39 -73.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.511 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -159.82 170.84 20.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.256 0.55 . . . . 0.0 112.055 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -127.55 161.84 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.646 178.823 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.59 144.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 112.224 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 60.2 t60 55.29 54.71 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.352 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.927 ' O ' HD13 ' A' ' 603' ' ' LEU . 22.6 mt -84.05 161.83 20.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.056 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 576' ' ' SER . . . -69.81 149.71 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.557 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -112.28 116.25 30.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.341 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 6.4 mmt -79.74 -28.69 40.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -84.24 164.95 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.317 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.26 -5.88 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.041 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.1 -12.29 58.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.515 ' O ' HD11 ' A' ' 603' ' ' LEU . . . 94.43 16.15 44.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.671 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.632 ' C ' HD21 ' A' ' 603' ' ' LEU . 3.2 m-85 -124.16 -172.07 2.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.6 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.2 m -161.97 179.57 7.91 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.541 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 5.5 m-20 -123.5 58.75 14.2 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.451 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.633 ' HG3' HD12 ' A' ' 567' ' ' LEU . 42.7 Cg_endo -69.63 152.05 69.9 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 123.377 2.718 . . . . 0.0 115.499 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.612 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 10.6 p90 -149.17 161.84 41.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.456 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 629' ' ' VAL . 23.6 t -116.35 132.3 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.905 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.8 mttp -114.62 131.12 56.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.762 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.054 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.07 143.94 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.929 0.395 . . . . 0.0 111.549 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.58 ' CE3' ' HE3' ' A' ' 593' ' ' LYS . 5.3 t90 -151.33 118.42 5.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.102 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.607 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.6 tp -90.54 107.73 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.763 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.776 0.322 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.58 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 14.6 mmtm -80.0 155.91 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.799 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.6 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 10.5 m-70 -158.25 166.2 32.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.118 0.485 . . . . 0.0 111.667 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.39 117.0 2.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.267 179.448 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.885 HG21 HG21 ' A' ' 561' ' ' ILE . 15.1 p -70.18 159.2 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.09 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.519 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 17.3 pt20 -48.02 139.17 8.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.544 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.2 mm -74.32 124.9 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -104.49 83.85 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.195 0.522 . . . . 0.0 109.896 178.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.567 ' HE2' ' CD1' ' A' ' 632' ' ' TYR . 21.7 mmtp -55.91 155.03 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.058 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.481 ' O ' ' HB ' ' A' ' 602' ' ' THR . 6.8 mmmt 32.93 76.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.167 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.803 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.7 t 179.36 139.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.069 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.927 HD13 ' O ' ' A' ' 567' ' ' LEU . 7.5 mt -113.6 -11.25 13.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -131.94 49.72 4.96 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.803 ' HB3' HG21 ' A' ' 602' ' ' THR . 81.7 Cg_endo -78.3 170.88 17.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.911 2.407 . . . . 0.0 113.104 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 2.9 tt0 -121.34 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.473 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.529 ' HB2' HG22 ' A' ' 561' ' ' ILE . 66.8 m-85 -79.63 -52.39 8.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.391 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.2 t-20 50.28 49.14 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 109.961 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 124.76 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.309 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -98.89 108.52 21.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 30.8 m-85 -91.27 171.67 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.839 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.6 t80 -144.73 123.19 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.612 ' HE1' HG21 ' A' ' 559' ' ' VAL . 8.1 m-85 -103.95 152.29 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.725 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.45 57.91 0.65 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.894 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -123.78 145.33 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.725 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.481 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.8 OUTLIER -79.79 137.35 36.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 55.5 t-80 -44.64 -51.24 9.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -17.9 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.239 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.894 ' CB ' HD11 ' A' ' 615' ' ' ILE . 9.1 m-20 -105.58 -29.14 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.721 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.627 HD21 HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.2 -65.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.637 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.786 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.67 -53.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.873 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -63.23 -14.2 46.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 111.182 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.777 ' HD2' HD13 ' A' ' 615' ' ' ILE . 1.3 mmpt? -75.58 179.89 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.276 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.31 104.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.346 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 627' ' ' ILE . 54.8 tp -79.42 114.37 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -97.47 97.35 9.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.528 HD11 HD23 ' A' ' 625' ' ' LEU . 3.6 mp -90.27 106.85 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.73 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 640' ' ' TYR . 88.3 p -117.92 135.95 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 580' ' ' VAL . 21.3 t -108.2 129.4 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.612 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 28.2 m95 -121.55 147.46 45.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.55 ' HB3' ' CG1' ' A' ' 641' ' ' ILE . 0.7 OUTLIER -90.59 120.84 32.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 0.0 109.904 178.809 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 41.8 t80 -73.88 165.02 25.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.185 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.7 m-20 -159.93 119.12 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.48 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -77.63 131.01 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 179.776 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.46 -3.12 55.53 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 -167.63 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.829 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 37.6 m -97.36 155.35 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -80.43 -170.69 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.542 ' CB ' ' OD2' ' A' ' 631' ' ' ASP . 0.2 OUTLIER -160.12 158.54 30.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 628' ' ' SER . 1.1 t80 -89.76 112.53 23.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' A' ' 578' ' ' PRO . 60.3 mt -83.35 -56.98 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.496 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 179.85 156.66 18.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.812 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -168.75 -150.37 6.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.431 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 178.48 172.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.431 ' O ' ' HD3' ' A' ' 654' ' ' ARG . 32.6 mt-30 -109.26 137.32 47.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.764 HD11 ' NE2' ' A' ' 673' ' ' HIS . 9.3 mt -124.77 89.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.53 148.7 20.24 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.865 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.9 OUTLIER -60.86 -11.74 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 111.591 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -88.21 14.26 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.159 0.504 . . . . 0.0 109.785 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.189 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.427 -179.582 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.565 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.6 mtt85 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 648' ' ' ILE . 25.0 tp -62.82 -33.33 74.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.7 mtpp -64.75 -59.3 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.606 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 6.8 t-160 -57.45 -53.28 59.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.193 0.52 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.9 t-105 -60.02 -79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.854 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -39.71 -61.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.949 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.558 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.4 pt-20 -42.92 -33.78 0.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.097 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.705 ' HA ' HD11 ' A' ' 669' ' ' ILE . 31.3 t -58.98 -41.31 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.786 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -59.77 -24.43 64.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.888 178.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -39.2 16.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.901 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.522 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.2 m-20 -106.69 58.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.642 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.545 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.7 OUTLIER -49.98 -82.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.522 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 6.4 mttm -82.88 125.41 31.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.63 118.58 21.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.705 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.7 OUTLIER -92.03 158.68 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.802 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.555 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 4.0 mt-10 -156.07 134.47 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.606 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -165.73 158.34 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.941 ' NE1' HD13 ' A' ' 545' ' ' LEU . 84.2 m95 -97.03 132.28 43.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.764 ' NE2' HD11 ' A' ' 646' ' ' LEU . 88.1 m-70 -110.73 129.59 55.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.762 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.59 104.85 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.375 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.496 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 92.8 mt -53.98 128.71 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.223 0.535 . . . . 0.0 111.443 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.405 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 2.7 mt-30 -120.23 159.48 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.649 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.532 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.655 -0.178 . . . . 0.0 112.655 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -132.75 135.86 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.532 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -112.76 129.44 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -179.638 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.989 ' HG ' HD13 ' A' ' 562' ' ' ILE . 20.5 tp -79.56 114.98 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.215 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.508 HG23 HG23 ' A' ' 544' ' ' ILE . 77.4 t -114.76 130.33 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.841 ' HB2' HD11 ' A' ' 562' ' ' ILE . 0.5 OUTLIER -112.23 136.71 51.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.304 179.317 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.6 mt -118.97 163.13 17.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.503 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.8 tmm? 174.26 125.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 48.5 t80 -105.24 133.9 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 0.0 110.892 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.12 85.34 2.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.484 HG21 ' HD2' ' A' ' 665' ' ' LYS . 1.2 p -49.73 -39.89 38.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.025 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -49.3 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.978 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.02 -17.17 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.426 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.86 41.0 56.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -158.47 163.42 32.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.696 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.1 tp -88.89 157.94 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.649 0.261 . . . . 0.0 110.731 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.824 HD13 ' CD1' ' A' ' 612' ' ' PHE . 0.8 OUTLIER -127.97 120.38 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.029 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.6 t -108.35 122.55 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.67 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -112.18 114.02 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.387 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.052 HD11 ' CD2' ' A' ' 582' ' ' LEU . 35.7 mm -93.45 98.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.989 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.8 mp -73.94 -73.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 3.2 ptm180 -164.04 171.63 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.184 0.516 . . . . 0.0 112.013 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.521 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -124.18 161.5 25.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.948 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 34.4 m -142.7 145.71 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.139 0.495 . . . . 0.0 112.198 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.525 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.1 t-80 49.58 57.67 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.056 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.831 ' O ' HD13 ' A' ' 603' ' ' LEU . 15.3 mt -84.01 162.55 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -74.32 145.59 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.512 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -107.31 113.13 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.491 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 16.5 mmt -83.19 -25.74 31.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.794 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -84.29 154.58 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.75 27.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -80.81 -6.34 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 87.21 9.56 72.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.0 m-85 -123.29 -168.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.823 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.589 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.4 OUTLIER -160.02 178.59 9.55 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.067 0.461 . . . . 0.0 111.473 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.527 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.0 m-20 -121.25 58.37 7.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.592 ' HG3' HD12 ' A' ' 567' ' ' LEU . 32.7 Cg_endo -66.24 143.98 72.94 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.403 2.735 . . . . 0.0 115.504 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 29.3 p90 -146.08 162.03 38.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 113.791 -1.549 . . . . 0.0 107.464 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 629' ' ' VAL . 25.0 t -116.5 129.96 72.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.723 -178.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.554 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.7 OUTLIER -112.74 130.95 55.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.417 178.798 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.052 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -118.99 138.62 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.633 -178.735 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.601 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.9 t90 -147.09 118.02 7.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 623' ' ' LYS . 15.5 tp -92.84 108.95 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.449 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 13.8 mtmt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.775 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.601 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 34.1 mttt -81.5 157.8 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.794 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.649 ' HB2' HD12 ' A' ' 582' ' ' LEU . 16.8 m-70 -157.14 176.62 12.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.109 0.48 . . . . 0.0 111.457 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 125.21 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.101 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.607 HG21 HG21 ' A' ' 561' ' ' ILE . 4.0 p -81.42 160.19 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 111.012 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.98 149.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.615 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.2 mm -87.64 128.01 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.829 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -104.97 63.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 109.893 179.354 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.527 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.0 OUTLIER -50.45 137.81 18.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.108 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.533 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 66.15 62.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.406 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 599' ' ' LYS . 4.3 t 176.93 145.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 567' ' ' LEU . 11.1 mt -115.81 -14.61 11.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.753 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -123.02 43.86 0.83 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.767 ' HB3' HG21 ' A' ' 602' ' ' THR . 55.4 Cg_endo -71.74 173.44 12.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.967 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 74.8 tt0 -121.47 119.54 32.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.379 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.483 ' CD2' HG22 ' A' ' 561' ' ' ILE . 46.7 m-85 -88.6 -58.57 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.407 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.4 OUTLIER 50.22 47.94 22.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 110.103 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.449 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.6 mm-40 -106.15 130.74 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.265 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -105.64 112.02 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.509 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 41.0 m-85 -95.85 174.84 6.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.164 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.824 ' CD1' HD13 ' A' ' 558' ' ' ILE . 5.7 t80 -147.41 125.35 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.163 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.6 m-85 -105.0 157.14 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.816 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.09 64.83 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.869 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -132.23 140.35 47.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.738 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 619' ' ' ASP . 23.7 mmtt -74.63 131.72 41.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.538 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.532 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 42.2 t-80 -42.52 -43.9 3.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.9 -24.79 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.869 ' CB ' HD11 ' A' ' 615' ' ' ILE . 74.3 m-20 -101.81 -29.19 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.648 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -34.85 -66.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.573 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.763 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -36.15 -57.1 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.792 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -20.44 62.84 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.84 0.352 . . . . 0.0 111.286 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.752 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.4 OUTLIER -65.49 172.06 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.765 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.86 104.67 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.189 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.548 HD23 HD11 ' A' ' 627' ' ' ILE . 23.1 tp -79.02 144.08 35.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 626' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 1.8 t70 -129.71 97.37 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.548 HD11 HD23 ' A' ' 625' ' ' LEU . 2.0 mp -92.27 97.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.376 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.495 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 90.7 p -110.3 130.68 55.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.642 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 580' ' ' VAL . 6.8 t -101.67 125.25 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.125 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.637 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 52.2 m95 -122.73 146.78 47.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.549 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.7 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.72 113.06 21.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.113 0.483 . . . . 0.0 110.147 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.761 ' HE1' HG23 ' A' ' 634' ' ' ILE . 38.1 t80 -69.44 164.28 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.496 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.22 125.93 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.761 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.01 133.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.58 -17.97 32.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.376 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -132.26 -165.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.2 OUTLIER -87.14 175.87 7.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -99.06 -176.92 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.783 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.476 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 21.1 m-20 -138.35 154.47 48.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.637 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.45 107.56 19.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 631' ' ' ASP . 71.4 mt -83.18 -38.16 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.606 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 147.84 161.47 9.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.535 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.495 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.4 -171.35 27.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.585 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 644' ' ' CYS . . . . . 0.534 ' SG ' ' CG ' ' A' ' 673' ' ' HIS . 16.4 p -153.31 154.36 34.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.492 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.2 mt-30 -105.85 136.35 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.862 HD11 ' NE2' ' A' ' 673' ' ' HIS . 12.2 mt -125.35 93.71 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.999 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.55 150.12 20.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.841 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.893 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.3 tt -65.56 -9.47 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 121.009 0.433 . . . . 0.0 111.342 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.1 t -91.94 15.07 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.14 0.495 . . . . 0.0 109.814 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.361 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.492 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.3 mtt-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.966 0.413 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.893 HD12 ' HA ' ' A' ' 648' ' ' ILE . 24.4 tp -86.33 -45.83 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 3.2 pttp -57.08 -57.36 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.585 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 19.0 t-160 -57.58 -55.03 40.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 44.6 t-105 -61.47 -64.71 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.158 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.66 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -53.58 -62.35 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.788 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -42.96 -29.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.063 -179.274 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.512 ' HA ' HD11 ' A' ' 669' ' ' ILE . 12.4 t -62.18 -45.22 94.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.763 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -55.61 -30.23 60.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.811 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.457 ' HG3' ' HA ' ' A' ' 660' ' ' GLU . 7.1 mtpt -79.94 -46.97 15.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.367 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.472 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.2 m-20 -99.05 42.69 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.666 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.532 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -42.32 -69.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.623 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -21.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.127 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.8 mmtm -94.53 138.1 32.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.499 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -86.22 132.0 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.474 -179.645 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.512 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.4 OUTLIER -113.21 149.7 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.352 179.447 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 670' ' ' GLU . 0.8 OUTLIER -152.18 148.83 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.233 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.536 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.68 166.32 8.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.878 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.855 ' NE1' HD13 ' A' ' 545' ' ' LEU . 92.3 m95 -98.98 131.12 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.862 ' NE2' HD11 ' A' ' 646' ' ' LEU . 79.2 m-70 -110.02 131.38 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 674' ' ' GLN . 0.9 OUTLIER -77.67 103.05 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 642' ' ' GLY . 86.3 mt -48.08 130.64 15.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.36 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -124.63 166.27 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.788 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -126.4 140.81 52.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.0 110.399 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.504 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -120.56 128.67 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.98 0.419 . . . . 0.0 111.79 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.957 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.9 tp -79.87 124.18 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.328 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.546 HG21 HG21 ' A' ' 627' ' ' ILE . 56.0 t -126.58 137.64 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.57 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.641 ' HB3' HD11 ' A' ' 562' ' ' ILE . 27.3 p -119.07 121.92 40.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.14 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 658' ' ' TRP . 13.2 mt -101.84 163.36 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 111.625 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.514 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.5 ttp 175.39 128.62 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.614 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.526 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 58.4 t80 -108.17 131.51 54.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.25 82.81 2.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.408 HG21 ' HD3' ' A' ' 665' ' ' LYS . 1.2 p -47.3 -36.63 9.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 553' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 0.0 OUTLIER -54.55 -57.05 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.375 179.315 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 554' ' ' GLN . . . . . 0.504 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 4.4 mm-40 -73.09 -15.82 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.423 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.5 41.88 65.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.526 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.91 171.15 33.79 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.572 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.611 HD12 ' H ' ' A' ' 558' ' ' ILE . 10.1 tp -96.14 160.78 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.834 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.1 mm -130.03 121.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.87 HG11 HD22 ' A' ' 582' ' ' LEU . 3.0 t -111.24 122.06 65.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.814 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -112.16 123.29 6.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.43 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.057 HD11 HD21 ' A' ' 582' ' ' LEU . 10.0 mm -103.52 96.46 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 3.0 mp -72.04 -75.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.349 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 2.7 ptm180 -155.85 175.65 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.905 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.595 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.3 p -131.36 160.54 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.51 145.74 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 112.316 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.511 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 55.06 59.41 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.282 179.46 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 1.023 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.0 mt -90.61 146.79 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.58 149.92 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -103.88 116.53 32.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.499 ' HG3' ' HB2' ' A' ' 639' ' ' ASP . 10.0 mmt -82.66 -23.95 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -88.75 158.6 18.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.11 -1.04 18.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -84.05 -12.64 54.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.705 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 96.82 3.2 59.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.24 -169.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 111.885 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.505 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 1.0 OUTLIER -157.46 179.55 9.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.419 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.47 ' HB3' ' HD2' ' A' ' 600' ' ' LYS . 0.7 OUTLIER -126.74 57.67 23.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.194 179.196 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.653 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.1 Cg_endo -66.72 149.26 83.72 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.467 2.778 . . . . 0.0 115.242 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.1 p90 -146.15 160.14 42.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.04 -1.436 . . . . 0.0 107.837 177.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 596' ' ' THR . 17.4 t -111.56 134.77 52.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.035 -0.666 . . . . 0.0 112.63 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 594' ' ' HIS . 6.2 mttm -117.41 141.3 48.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.751 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.057 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.9 132.54 52.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.385 -178.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.574 ' CD1' ' CD ' ' A' ' 585' ' ' LYS . 2.6 t90 -132.4 126.72 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.261 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.597 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 12.2 tp -113.28 114.04 26.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.095 0.474 . . . . 0.0 110.807 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.574 ' CD ' ' CD1' ' A' ' 583' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.976 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 582' ' ' LEU . 0.0 OUTLIER -83.57 154.14 23.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.501 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.812 ' HB2' HD12 ' A' ' 582' ' ' LEU . 15.2 m-70 -146.82 179.54 7.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.258 0.551 . . . . 0.0 112.047 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 120.81 2.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.916 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.742 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.7 p -80.8 174.71 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.212 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 597' ' ' GLN . . . . . 0.49 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 24.1 pt20 -47.68 153.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.659 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.537 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -88.19 128.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.672 ' O ' HG22 ' A' ' 602' ' ' THR . 0.1 OUTLIER -96.72 70.89 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.15 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.47 ' HD2' ' HB3' ' A' ' 577' ' ' ASP . 6.0 mmmm -51.62 146.01 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.078 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.422 ' HG2' ' C ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 31.03 74.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.976 179.311 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.795 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.2 t -177.74 143.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.798 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 1.023 HD13 ' O ' ' A' ' 567' ' ' LEU . 11.9 mt -117.32 -13.12 10.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 56.4 m-80 -130.52 50.61 6.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.564 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.795 ' HB3' HG21 ' A' ' 602' ' ' THR . 91.0 Cg_endo -80.23 -172.67 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.88 2.387 . . . . 0.0 112.906 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.475 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.2 OUTLIER -134.76 117.06 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.368 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 71.9 m-85 -81.49 -58.95 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 562' ' ' ILE . 4.7 t30 54.46 47.07 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.127 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.419 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.7 mm-40 -108.21 134.35 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.218 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -109.98 112.7 24.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.742 ' CE1' HG22 ' A' ' 596' ' ' THR . 47.9 m-85 -94.1 172.55 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.284 0.564 . . . . 0.0 112.22 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.834 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.9 t80 -144.74 121.75 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.121 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.1 155.38 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -110.21 64.16 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.888 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -129.44 146.86 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.795 179.594 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.512 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.7 OUTLIER -78.84 136.19 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.54 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 54.7 t-80 -46.64 -45.51 19.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -22.83 35.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.888 ' CB ' HD11 ' A' ' 615' ' ' ILE . 60.6 m-20 -102.49 -29.44 11.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.296 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.84 -67.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 179.693 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.863 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.82 -57.4 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.178 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -62.3 -19.69 63.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.61 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 615' ' ' ILE . 7.3 mmpt? -65.79 164.78 14.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.935 0.398 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.72 102.35 4.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.581 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 37.6 tp -80.08 129.11 34.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.914 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 626' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 583' ' ' TRP . 34.3 t70 -109.49 94.0 4.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.201 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -86.94 102.42 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.322 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 1.3 m -119.17 143.78 47.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.073 0.464 . . . . 0.0 111.862 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 580' ' ' VAL . 18.4 t -112.33 119.52 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.258 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 49.3 m95 -118.03 146.44 44.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 111.486 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.786 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.35 118.73 24.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.733 ' HE1' HG23 ' A' ' 634' ' ' ILE . 24.1 t80 -69.76 163.84 24.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -157.47 130.93 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.756 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.733 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.69 139.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 635' ' ' GLY . . . . . 0.424 ' C ' ' HG2' ' A' ' 636' ' ' LYS . . . 83.04 -15.47 32.75 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.724 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 636' ' ' LYS . . . . . 0.424 ' HG2' ' C ' ' A' ' 635' ' ' GLY . 0.0 OUTLIER -143.82 -163.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 3.5 m -79.97 -172.3 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.794 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.76 -167.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 1.1 m-20 -139.32 156.86 46.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.616 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -94.56 115.13 27.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' A' ' 631' ' ' ASP . 86.2 mt -95.39 -42.59 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.634 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 156.36 157.84 8.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -155.46 -167.3 16.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.72 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 12.8 p -157.49 142.27 16.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 37.6 mt-30 -93.79 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.889 HD12 HD11 ' A' ' 627' ' ' ILE . 14.5 mt -134.12 90.02 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 0.0 111.523 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.67 135.23 7.7 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.945 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -53.58 -20.73 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 116.981 0.39 . . . . 0.0 111.518 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 17.4 t -73.91 -2.77 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.364 -179.807 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.584 ' HB3' HD23 ' A' ' 646' ' ' LEU . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 648' ' ' ILE . 21.9 tp -79.55 -42.28 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 68.0 mttm -56.15 -50.68 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.552 ' CD2' ' HB ' ' A' ' 669' ' ' ILE . 13.8 t-160 -69.68 -63.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.524 ' HA ' HD12 ' A' ' 548' ' ' LEU . 47.4 t-105 -47.76 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.801 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.945 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -35.67 -55.09 0.71 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.392 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.766 ' HB3' HD12 ' A' ' 669' ' ' ILE . 6.2 mm-40 -38.19 -45.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.015 0.436 . . . . 0.0 110.531 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 549' ' ' MET . 18.9 t -48.55 -37.16 17.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.375 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.863 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.1 mp -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.933 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.455 ' HG2' ' OE1' ' A' ' 660' ' ' GLU . 2.5 pttt -74.83 -36.36 62.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.393 0.616 . . . . 0.0 109.427 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 667' ' ' LYS . 1.2 m-20 -112.28 66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.6 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.54 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 2.5 mptt -55.4 -75.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -53.11 -18.7 2.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 664' ' ' ASN . 8.0 mttm -96.17 140.61 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -92.98 145.61 24.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.518 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -117.26 108.53 25.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.255 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.519 ' HG2' ' HB3' ' A' ' 547' ' ' SER . 4.6 mt-10 -105.94 140.27 39.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.492 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -172.62 160.36 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.12 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.957 ' NE1' HD13 ' A' ' 545' ' ' LEU . 85.8 m95 -94.15 141.96 27.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.304 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.508 ' NE2' HD11 ' A' ' 646' ' ' LEU . 40.3 m-70 -120.1 131.77 55.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.35 102.15 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 642' ' ' GLY . 82.0 mt -48.93 132.81 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.312 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -123.5 163.06 21.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.947 -179.837 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.676 -0.17 . . . . 0.0 112.676 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 8.4 mtmm -140.86 136.21 32.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.643 0.259 . . . . 0.0 110.343 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.634 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -113.68 127.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.721 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.93 ' HG ' HD13 ' A' ' 562' ' ' ILE . 16.9 tp -79.6 123.18 27.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.417 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.02 136.6 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.682 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.9 p -114.84 118.15 32.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.29 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 549' ' ' MET . 9.8 mt -102.47 157.99 16.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.013 0.435 . . . . 0.0 111.393 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.497 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.0 tmm? 175.72 126.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 617' ' ' HIS . 52.1 t80 -105.36 128.97 53.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.868 0.366 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 551' ' ' SER . . . . . 0.457 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -101.14 96.32 7.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.833 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.507 HG22 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -62.64 -36.84 84.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 109.824 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -49.81 -44.13 49.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.791 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -16.23 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.148 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.84 41.35 49.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -152.62 169.18 31.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.562 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.1 tp -93.76 160.13 14.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.714 0.293 . . . . 0.0 110.56 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.825 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -130.08 123.05 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.839 HG11 HD22 ' A' ' 582' ' ' LEU . 11.1 t -113.35 119.63 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.551 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -111.75 115.23 3.81 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.532 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.058 HD11 HD21 ' A' ' 582' ' ' LEU . 42.2 mm -92.61 96.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.93 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.5 mp -71.09 -73.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.16 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 1.5 ptm180 -161.68 175.07 12.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 111.792 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.597 ' SG ' HD11 ' A' ' 567' ' ' LEU . 5.6 p -129.57 159.34 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.903 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.4 m -142.24 145.98 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.192 0.52 . . . . 0.0 112.315 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER 55.12 54.06 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.299 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 1.014 ' O ' HD13 ' A' ' 603' ' ' LEU . 11.7 mt -84.62 146.0 27.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.04 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -65.95 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.327 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.628 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -117.63 110.09 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.978 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.486 ' HE3' ' OG ' ' A' ' 576' ' ' SER . 2.3 mtm -86.12 -25.66 25.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -67.46 150.68 48.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.629 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.58 -6.79 21.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -83.98 -9.34 58.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.506 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 90.85 7.59 66.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.296 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.628 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -125.88 -169.43 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 0.0 111.992 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.537 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.0 OUTLIER -153.5 -179.78 8.08 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.118 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.516 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 3.5 m-20 -125.55 56.83 15.64 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.641 ' HG3' HD12 ' A' ' 567' ' ' LEU . 30.5 Cg_endo -64.55 145.45 87.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.651 2.901 . . . . 0.0 115.733 -177.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 19.1 p90 -146.18 159.47 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.633 177.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.574 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 21.2 t -110.92 131.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.429 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.3 OUTLIER -116.75 130.35 56.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.864 179.204 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.058 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.3 136.52 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.698 -178.527 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.533 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.8 t90 -143.74 118.33 9.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.589 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 15.0 tp -93.99 111.24 22.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.183 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.634 0.254 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.52 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 14.0 mttt -92.72 159.76 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.772 ' HB2' HD12 ' A' ' 582' ' ' LEU . 30.8 m-70 -154.12 173.73 15.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.051 0.453 . . . . 0.0 111.603 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.503 ' HG3' ' HE2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.99 108.12 1.92 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.078 179.361 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.814 HG21 HG21 ' A' ' 561' ' ' ILE . 10.3 p -63.48 159.81 17.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.953 0.406 . . . . 0.0 111.091 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -42.73 143.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.314 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.522 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.61 120.87 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.113 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 602' ' ' THR . 12.1 mmtt -91.3 77.31 5.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.12 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.473 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 11.8 mmtm -59.31 151.24 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.738 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 600' ' ' LYS . 0.2 OUTLIER 31.98 69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.882 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.787 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.9 t -177.7 144.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.924 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 1.014 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.7 mt -119.67 -12.38 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.563 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.9 m-80 -128.23 45.56 1.73 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.51 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.787 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.3 Cg_endo -74.52 -178.84 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.907 2.405 . . . . 0.0 112.813 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 29.6 tt0 -126.24 118.2 24.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.39 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.659 ' CB ' HG22 ' A' ' 561' ' ' ILE . 67.1 m-85 -83.63 -59.9 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.2 t-20 52.46 45.05 29.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.269 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 15.4 mm-40 -107.15 127.77 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.155 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.95 113.81 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 52.4 m-85 -95.62 173.05 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 112.148 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.825 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.6 t80 -144.02 121.14 11.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.236 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 7.6 m-85 -102.63 153.27 20.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.638 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.97 60.67 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.863 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -124.09 137.42 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.7 132.68 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 550' ' ' TYR . 44.1 t-80 -45.4 -46.03 13.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.458 ' O ' ' HE3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -59.27 -15.57 16.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.254 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.863 ' CB ' HD11 ' A' ' 615' ' ' ILE . 86.0 m-20 -105.3 -28.99 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.578 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.589 HD23 HG12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.19 -66.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.71 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.802 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -42.61 -41.59 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 618' ' ' SER . 0.0 OUTLIER -70.63 -14.08 62.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 111.22 -179.436 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.746 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.3 mmpt? -81.93 -177.0 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.408 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.79 105.04 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.173 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 43.4 tp -79.17 118.42 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 626' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 9.3 t0 -106.62 99.26 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.593 HD11 HD12 ' A' ' 646' ' ' LEU . 2.3 mp -93.31 106.3 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.497 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 59.8 p -117.72 131.74 56.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.5 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.548 ' CG2' HD21 ' A' ' 675' ' ' LEU . 11.9 t -101.31 128.15 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.323 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 53.7 m95 -122.83 141.97 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.926 ' HB2' HD11 ' A' ' 641' ' ' ILE . 1.2 t0 -85.28 106.79 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.423 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.705 ' HE1' HG23 ' A' ' 634' ' ' ILE . 33.7 t80 -57.91 164.21 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.322 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -160.28 126.74 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.705 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.52 136.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -21.85 28.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -170.96 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.2 p -80.06 148.98 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -56.42 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 78.7 m-20 -141.46 150.97 42.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.67 116.96 29.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.813 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.926 HD11 ' HB2' ' A' ' 631' ' ' ASP . 69.4 mt -95.61 -43.36 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.732 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 154.57 161.64 10.64 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.573 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.83 -165.31 18.5 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.638 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.86 156.1 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.49 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 12.6 pt20 -102.09 141.99 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.604 HD21 ' CE1' ' A' ' 673' ' ' HIS . 14.1 mt -129.53 89.97 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.36 143.3 14.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.702 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.882 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.8 OUTLIER -60.13 -12.26 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.882 0.341 . . . . 0.0 111.663 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 34.2 t -87.1 13.04 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 109.984 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.186 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.25 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.941 0.401 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.5 tp -83.27 -47.95 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 10.9 mttt -51.34 -63.88 0.99 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.512 ' CD2' ' HB2' ' A' ' 671' ' ' ARG . 0.4 OUTLIER -54.36 -53.09 58.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.459 . . . . 0.0 110.809 -179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 58.8 t-105 -60.45 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.784 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.38 -60.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.056 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.56 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.5 pt-20 -42.89 -34.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.064 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 34.0 t -56.69 -41.65 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.802 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -60.63 -25.69 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.936 178.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.38 17.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.812 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.533 ' ND2' ' HD3' ' A' ' 667' ' ' LYS . 5.4 m-20 -106.27 59.32 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.666 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 2.7 mppt? -49.7 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 666' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 3.7 p30 -48.95 -21.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.387 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.533 ' HD3' ' ND2' ' A' ' 664' ' ' ASN . 39.2 mttt -86.21 130.19 34.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.757 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.472 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 0.2 OUTLIER -79.95 153.99 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.47 . . . . 0.0 111.494 -179.529 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.7 OUTLIER -126.78 159.37 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.315 179.362 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.544 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 0.0 OUTLIER -158.81 125.51 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.512 ' HB2' ' CD2' ' A' ' 657' ' ' HIS . 0.6 OUTLIER -153.69 163.78 39.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.518 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.922 ' CE2' HD13 ' A' ' 545' ' ' LEU . 84.9 m95 -102.61 132.35 48.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.68 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.604 ' CE1' HD21 ' A' ' 646' ' ' LEU . 87.1 m-70 -113.91 131.19 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.43 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 1.4 pt20 -79.28 103.33 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.732 HD22 ' O ' ' A' ' 642' ' ' GLY . 80.0 mt -44.41 130.67 6.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.249 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.7 mt-30 -127.5 160.69 30.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.875 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.58 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.639 -0.184 . . . . 0.0 112.639 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.83 137.65 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.658 0.266 . . . . 0.0 110.416 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.658 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -114.34 129.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.657 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.994 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.7 tp -79.64 123.73 27.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 89.7 t -121.68 131.46 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.667 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.727 ' HB3' HD11 ' A' ' 562' ' ' ILE . 92.6 p -113.15 121.67 45.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.908 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.518 ' CB ' ' SG ' ' A' ' 661' ' ' CYS . 4.5 mt -101.68 167.99 9.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.878 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.555 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER 171.44 132.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.322 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 50.7 t80 -111.51 138.72 47.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.106 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.61 97.82 6.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.617 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.54 HG22 ' HD2' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.74 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 0.0 110.15 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.02 -43.99 51.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.109 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -92.28 -19.12 22.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.39 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.56 39.72 29.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.493 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -149.62 169.48 29.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.705 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 558' ' ' ILE . 6.7 tp -95.6 162.08 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.705 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.849 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -130.04 123.48 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.99 0.424 . . . . 0.0 111.035 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.681 HG11 HD22 ' A' ' 582' ' ' LEU . 7.3 t -114.2 119.27 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.828 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.27 117.49 4.72 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.403 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.053 HD11 HD21 ' A' ' 582' ' ' LEU . 49.2 mm -95.35 97.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.901 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.5 mp -71.76 -74.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -159.57 176.45 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 112.02 -178.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.568 ' SG ' HD11 ' A' ' 567' ' ' LEU . 7.4 p -131.36 159.13 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.934 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.87 145.05 23.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 112.277 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 3.8 t60 56.65 59.17 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.877 ' O ' HD13 ' A' ' 603' ' ' LEU . 12.2 mt -90.12 161.53 15.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.53 ' HB3' ' HE1' ' A' ' 570' ' ' MET . . . -80.11 152.09 29.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.613 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -117.86 109.43 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.783 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.53 ' HE1' ' HB3' ' A' ' 568' ' ' ALA . 0.0 OUTLIER -79.06 -31.31 44.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.366 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -67.04 150.09 49.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.78 -5.75 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -82.9 -11.32 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.511 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.84 5.59 59.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.61 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.613 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.53 -169.33 1.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 112.154 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.503 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.6 OUTLIER -157.11 176.27 12.96 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.406 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.482 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 28.9 m-20 -120.41 58.4 6.09 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.658 ' HG3' HD12 ' A' ' 567' ' ' LEU . 30.2 Cg_endo -64.66 136.86 51.69 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 123.518 2.812 . . . . 0.0 115.347 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.623 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 17.5 p90 -135.76 161.13 36.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.832 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.598 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 24.7 t -113.65 138.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.721 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.4 mttp -117.3 148.52 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.626 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.053 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -136.81 132.15 34.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.9 0.381 . . . . 0.0 111.3 -179.465 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.542 ' HB2' ' CG ' ' A' ' 593' ' ' LYS . 4.1 t90 -142.2 118.33 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.188 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.651 HD11 ' CB ' ' A' ' 623' ' ' LYS . 13.9 tp -97.22 109.06 21.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.915 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.535 ' CG ' ' OG ' ' A' ' 624' ' ' SER . 8.3 ptmt . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 121.215 0.531 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 42.0 mttt -76.6 151.35 36.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.825 ' HB2' HD12 ' A' ' 582' ' ' LEU . 13.1 m-70 -144.93 -178.69 6.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.206 0.526 . . . . 0.0 111.639 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.25 130.66 5.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.156 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 580' ' ' VAL . 4.5 p -90.46 167.34 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -45.05 149.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.709 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.631 HD12 ' CD2' ' A' ' 632' ' ' TYR . 10.5 mm -84.38 125.33 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.51 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 602' ' ' THR . 6.9 mmpt? -92.5 75.14 5.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.546 ' HE3' ' CD1' ' A' ' 634' ' ' ILE . 28.3 mmtm -52.36 143.84 14.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.045 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.423 ' N ' ' OD1' ' A' ' 577' ' ' ASP . 0.0 OUTLIER 32.16 74.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.883 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.814 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.0 t -178.09 145.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.877 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.1 mt -118.86 -12.58 9.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 38.7 m-80 -127.82 46.18 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.814 ' HB3' HG21 ' A' ' 602' ' ' THR . 71.1 Cg_endo -74.66 -178.89 4.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.969 2.446 . . . . 0.0 113.29 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.9 tt0 -127.25 118.15 23.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.401 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.598 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 67.2 m-85 -85.28 -60.75 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.226 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 561' ' ' ILE . 13.0 t-20 53.82 46.47 25.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.029 0.443 . . . . 0.0 110.21 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.473 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.4 OUTLIER -107.39 127.89 53.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.235 -179.543 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.94 114.4 28.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.534 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 44.4 m-85 -95.61 174.45 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.288 0.566 . . . . 0.0 112.039 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.849 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.2 t80 -144.47 119.21 9.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.243 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.572 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.0 m-85 -100.56 151.91 21.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.655 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.45 67.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.217 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.888 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -131.89 142.32 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 619' ' ' ASP . 19.9 mtmt -72.37 129.96 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.586 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 47.0 t-80 -42.73 -47.22 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 618' ' ' SER . . . . . 0.441 ' O ' ' HE2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -54.68 -22.72 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.888 ' CB ' HD11 ' A' ' 615' ' ' ILE . 20.5 m-20 -101.09 -28.83 12.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.626 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.63 -67.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.687 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.817 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.86 -48.68 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.508 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.46 -15.97 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -179.177 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.8 mmpt? -76.72 173.78 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.11 0.481 . . . . 0.0 111.374 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 624' ' ' SER . . . . . 0.535 ' OG ' ' CG ' ' A' ' 585' ' ' LYS . 0.4 OUTLIER -150.38 109.42 3.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.043 178.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 15.5 tp -79.81 149.79 30.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.875 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.04 95.05 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.008 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.442 HD11 HD23 ' A' ' 625' ' ' LEU . 2.8 mp -87.93 101.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.443 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.486 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.7 m -112.6 136.62 51.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.531 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.59 HG22 HG22 ' A' ' 580' ' ' VAL . 14.0 t -108.95 125.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.347 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.623 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.8 m95 -123.69 149.61 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.718 0.294 . . . . 0.0 111.735 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.53 ' CB ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -83.74 109.04 17.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.851 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.674 ' HE1' HG23 ' A' ' 634' ' ' ILE . 28.6 t80 -69.93 161.63 29.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.428 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.603 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.16 130.39 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.47 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.674 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.49 134.06 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 111.289 -179.814 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.78 40.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.61 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -168.89 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.958 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 15.0 m -81.05 -162.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -117.61 -164.1 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -158.19 138.17 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 9.3 t80 -79.51 121.2 24.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.884 0.374 . . . . 0.0 111.184 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 50.5 mt -96.9 -35.39 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.69 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.506 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 147.45 159.74 8.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.693 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -167.11 -165.04 23.85 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.404 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.1 m -161.83 178.51 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -124.6 142.67 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.756 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.851 HD11 ' NE2' ' A' ' 673' ' ' HIS . 12.0 mt -128.82 103.17 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -148.96 145.03 12.92 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.754 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.93 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -57.36 -14.75 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 120.915 0.388 . . . . 0.0 111.568 -179.421 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 47.8 t -81.1 5.29 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.092 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.184 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.399 -179.79 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 648' ' ' ILE . 24.9 tp -60.04 -35.52 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 3.1 mtpp -63.31 -50.44 70.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.551 ' ND1' ' HG2' ' A' ' 671' ' ' ARG . 22.7 t-160 -65.69 -62.55 1.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.267 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -50.22 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.236 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.93 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.08 -64.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.737 -179.641 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.54 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.5 pt-20 -42.25 -31.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.472 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.673 ' HA ' HD11 ' A' ' 669' ' ' ILE . 76.1 m -57.35 -42.68 82.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.817 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.2 mp -60.6 -28.95 68.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.144 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.542 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 10.9 pttt -83.19 -47.02 12.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.979 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.542 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 92.6 m-20 -106.19 58.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.488 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.586 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.5 OUTLIER -57.62 -73.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.165 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.23 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.779 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.0 OUTLIER -98.82 137.09 37.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 110.814 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.555 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.08 142.01 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.2 OUTLIER -109.26 168.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.423 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.456 ' H ' HG22 ' A' ' 669' ' ' ILE . 0.6 OUTLIER -158.13 135.8 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.398 . . . . 0.0 111.201 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.551 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -163.89 156.45 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.935 179.703 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.994 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.2 m95 -96.72 135.37 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.851 ' NE2' HD11 ' A' ' 646' ' ' LEU . 94.0 m-70 -115.31 130.17 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 111.99 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 642' ' ' GLY . 74.0 mt -59.28 136.12 57.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -126.52 162.06 26.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.655 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.602 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.763 -0.135 . . . . 0.0 112.763 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -126.6 137.97 53.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.61 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -116.6 126.66 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.077 0.465 . . . . 0.0 111.821 -179.458 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.926 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.5 tp -79.66 125.74 30.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.359 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 54.2 t -123.21 140.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.365 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.642 ' HB2' HD11 ' A' ' 562' ' ' ILE . 37.4 t -116.93 143.86 45.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.239 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.493 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 81.7 mt -128.6 160.95 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.117 0.484 . . . . 0.0 111.787 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.545 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 2.4 tmm? 175.95 107.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 54.9 t80 -83.25 130.9 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.494 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 551' ' ' SER . . . . . 0.417 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.1 OUTLIER -104.19 90.61 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.854 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.619 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.1 p -54.87 -38.07 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 0.0 110.361 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -46.27 56.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.66 -16.03 33.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.592 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.29 58.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.509 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.23 172.75 32.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.547 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.662 HD13 HD11 ' A' ' 620' ' ' LEU . 7.0 tp -102.36 134.33 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 111.06 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.833 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -105.03 116.86 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.638 ' CG1' HD21 ' A' ' 625' ' ' LEU . 1.5 t -98.41 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.038 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -136.66 107.32 0.6 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.94 -1.124 . . . . 0.0 113.704 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 0.98 HD11 HD21 ' A' ' 582' ' ' LEU . 12.4 mm -86.59 97.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.882 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mp -75.98 -77.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.2 OUTLIER -155.66 170.24 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.058 0.456 . . . . 0.0 111.617 -179.064 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.576 ' SG ' HD11 ' A' ' 567' ' ' LEU . 2.4 p -127.53 158.73 36.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.08 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.9 m -143.22 144.37 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.228 0.537 . . . . 0.0 112.232 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 62.37 50.85 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.331 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.983 ' O ' HD13 ' A' ' 603' ' ' LEU . 10.9 mt -86.27 141.97 28.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.183 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.99 156.38 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.496 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.28 115.55 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.493 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.3 mmt -83.85 -22.62 31.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.811 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.83 157.65 18.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.02 -2.9 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -11.27 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.23 7.0 59.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.578 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.601 ' C ' HD21 ' A' ' 603' ' ' LEU . 2.8 m-85 -121.41 -168.8 1.74 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.758 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.723 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.2 m -158.74 -179.36 7.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.346 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.484 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 1.7 m-20 -126.55 56.95 18.6 Favored Pre-proline 0 C--N 1.33 -0.239 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.624 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.0 Cg_endo -66.89 144.97 72.85 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.57 2.847 . . . . 0.0 115.539 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 13.1 p90 -142.46 161.04 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.498 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 629' ' ' VAL . 16.7 t -113.58 137.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.581 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.0 mttp -116.19 133.06 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.641 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 0.98 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -119.78 136.35 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 111.512 -178.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.554 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.4 t90 -145.57 115.05 7.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 623' ' ' LYS . 13.2 tp -92.5 113.72 26.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 624' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.704 0.288 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -77.87 138.72 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.803 ' HB2' HD12 ' A' ' 582' ' ' LEU . 5.0 m-70 -132.61 178.65 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.48 128.9 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.612 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.5 p -87.9 168.83 12.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.996 0.426 . . . . 0.0 111.155 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -44.69 156.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.562 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -89.83 125.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.595 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -94.19 72.42 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 109.748 179.058 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.484 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 8.6 mmtp -57.97 148.99 24.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.011 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.477 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.4 mmtm 38.55 69.48 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.211 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.775 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.9 t 179.09 142.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.835 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.983 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.9 mt -117.18 -11.73 10.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.535 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.4 m-80 -128.65 47.43 2.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.775 ' HB3' HG21 ' A' ' 602' ' ' THR . 98.7 Cg_endo -79.26 -177.08 3.63 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.872 2.381 . . . . 0.0 113.093 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 13.3 tt0 -132.07 114.84 15.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.287 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.885 ' HB2' HG22 ' A' ' 561' ' ' ILE . 67.6 m-85 -80.02 -50.34 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.488 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.4 p-10 46.15 50.32 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 0.0 110.255 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.472 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.8 mm-40 -110.04 136.85 48.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.124 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -109.53 115.67 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.612 ' CE1' HG22 ' A' ' 596' ' ' THR . 38.9 m-85 -97.04 176.91 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.247 0.546 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.833 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.3 t80 -144.81 126.44 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.598 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 9.8 m-85 -108.71 155.36 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -111.51 61.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.909 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.897 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.1 tp -125.25 142.98 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -71.8 135.33 46.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 29.6 t-80 -46.69 -49.26 19.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.361 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -12.19 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.608 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.897 ' CB ' HD11 ' A' ' 615' ' ' ILE . 5.1 m-20 -106.7 -27.07 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.61 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.662 HD11 HD13 ' A' ' 557' ' ' LEU . 0.2 OUTLIER -36.25 -67.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.379 179.328 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.839 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -41.87 -40.48 2.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.633 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -15.41 63.41 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.898 ' HB2' HD11 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -90.22 179.92 5.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.711 -179.51 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 624' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 585' ' ' LYS . 0.7 OUTLIER -150.82 111.7 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.638 HD21 ' CG1' ' A' ' 559' ' ' VAL . 42.9 tp -79.46 114.0 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -98.04 105.27 17.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.594 HD11 HD12 ' A' ' 646' ' ' LEU . 3.2 mp -95.89 108.73 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.501 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 70.9 m -115.26 147.67 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 580' ' ' VAL . 17.2 t -123.23 120.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.649 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.589 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 37.7 m95 -119.14 144.46 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.516 -179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.773 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.41 114.06 21.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.031 0.444 . . . . 0.0 110.426 179.233 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.722 ' HE1' HG23 ' A' ' 634' ' ' ILE . 28.4 t80 -70.54 162.4 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.281 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -160.0 126.28 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.718 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.722 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.69 135.3 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 111.212 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.89 -15.39 32.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.666 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 -165.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.45 158.55 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -164.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.487 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 5.3 m-20 -160.25 141.05 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 6.2 t80 -80.0 123.87 28.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.208 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.773 HD11 ' HB2' ' A' ' 631' ' ' ASP . 27.2 mt -102.05 -36.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.482 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.604 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 144.67 160.06 8.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.61 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -153.94 -161.09 10.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.58 153.81 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.478 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 1.5 pt20 -106.72 137.8 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 1.074 HD11 ' NE2' ' A' ' 673' ' ' HIS . 13.4 mt -124.17 89.9 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.16 143.54 15.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.907 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.913 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.9 OUTLIER -57.36 -13.93 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 120.826 0.346 . . . . 0.0 111.848 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 38.9 t -88.49 15.62 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.036 0.446 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.464 -179.695 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 648' ' ' ILE . 20.2 tp -88.23 -42.42 12.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.092 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 42.1 mttt -55.49 -57.33 12.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.493 ' NE2' ' HG ' ' A' ' 548' ' ' LEU . 17.8 t-160 -59.56 -55.56 32.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 110.976 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 66.5 t-105 -59.01 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.278 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.827 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -40.1 -63.99 0.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.545 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.7 pt-20 -43.41 -32.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.299 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 14.0 t -60.21 -38.65 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.658 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.839 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -61.62 -28.97 69.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.059 179.013 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -39.76 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.872 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.551 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.5 m-20 -104.68 48.67 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.619 ' HD2' HG22 ' A' ' 552' ' ' THR . 21.8 mtmt -36.4 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 666' ' ' ASP . . . . . 0.439 ' O ' ' SD ' ' A' ' 549' ' ' MET . 3.3 t0 -45.33 -24.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.551 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 2.0 mmmm -81.13 134.71 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.545 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.18 158.37 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 0.0 111.501 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.7 OUTLIER -139.18 155.97 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.41 179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.653 ' HG2' HD11 ' A' ' 562' ' ' ILE . 21.8 mt-10 -153.16 132.21 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 0.0 111.075 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.51 ' O ' HD12 ' A' ' 545' ' ' LEU . 2.4 mmt-85 -153.79 168.5 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.369 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.926 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.8 m95 -105.64 133.01 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.763 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 1.074 ' NE2' HD11 ' A' ' 646' ' ' LEU . 48.0 m-70 -115.43 129.02 56.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.3 115.1 16.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 642' ' ' GLY . 69.8 mt -58.59 134.47 56.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -126.87 160.13 31.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.668 -0.173 . . . . 0.0 112.668 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -124.75 138.6 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.616 0.246 . . . . 0.0 110.437 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.554 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -116.53 131.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.078 0.466 . . . . 0.0 111.695 -179.59 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.923 HD13 ' CE2' ' A' ' 672' ' ' TRP . 14.6 tp -86.87 121.49 29.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.481 HG21 HG21 ' A' ' 627' ' ' ILE . 55.7 t -121.68 132.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.727 ' HB3' HD11 ' A' ' 562' ' ' ILE . 82.6 p -113.58 122.07 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 658' ' ' TRP . 19.3 mt -95.73 165.82 12.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.487 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.541 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 1.3 ttp 173.61 119.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.065 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 53.3 t80 -102.64 136.56 42.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.004 0.431 . . . . 0.0 111.245 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.9 97.14 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.744 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.551 HG22 ' HD3' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.91 -34.71 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.122 0.487 . . . . 0.0 110.084 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -48.03 -42.45 28.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.052 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -97.23 -19.82 18.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.585 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 79.29 38.41 21.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.379 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.533 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -146.43 169.03 27.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.524 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.0 tp -95.78 159.0 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.756 0.312 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.848 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -129.02 118.53 46.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.914 HG11 HD22 ' A' ' 582' ' ' LEU . 11.3 t -106.03 120.59 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.755 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -107.56 123.16 7.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.278 -0.963 . . . . 0.0 113.433 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 582' ' ' LEU . 11.8 mm -100.95 95.47 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.796 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.8 mp -72.09 -76.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.502 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.1 OUTLIER -159.03 167.65 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 111.914 -179.006 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.8 p -124.57 159.84 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.849 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.28 148.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.285 0.564 . . . . 0.0 112.482 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.523 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 63.71 44.29 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.49 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.55 HD12 ' HG3' ' A' ' 578' ' ' PRO . 36.8 mt -84.15 155.21 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -79.19 157.19 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.35 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.603 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -119.76 108.85 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.669 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.3 mtm -87.21 -23.88 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.016 0.436 . . . . 0.0 110.689 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.91 157.78 29.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.88 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.27 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.47 -5.28 43.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.984 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.503 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 89.58 6.45 70.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.287 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.603 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.73 -169.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 111.866 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.608 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.4 OUTLIER -154.04 171.91 18.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.306 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.538 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.5 m-20 -119.01 60.53 4.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.55 ' HG3' HD12 ' A' ' 567' ' ' LEU . 35.7 Cg_endo -66.69 143.16 66.8 Favored 'Trans proline' 0 CA--C 1.526 0.081 0 C-N-CA 123.41 2.74 . . . . 0.0 115.195 -177.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.0 p90 -143.55 160.67 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.068 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 596' ' ' THR . 19.7 t -112.92 131.23 65.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.754 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 2.0 mttm -114.44 130.6 56.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.269 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -116.24 140.66 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 111.827 -178.833 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.545 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.8 t90 -148.61 114.39 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.117 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.3 tp -91.21 120.28 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.586 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 2.3 mttp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.341 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.749 0.309 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 8.0 mptt -76.06 164.38 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 5.6 m-70 -160.17 172.81 16.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.164 0.507 . . . . 0.0 111.905 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.491 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -160.64 123.72 3.36 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.838 179.336 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.758 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.5 p -86.17 174.04 9.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.996 0.427 . . . . 0.0 111.406 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -47.3 141.67 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.676 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.696 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.8 mm -78.46 124.12 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.508 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.56 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -93.25 71.39 4.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.869 179.127 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.526 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.2 OUTLIER -66.29 141.93 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.656 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.492 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 56.53 62.65 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.664 179.42 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.857 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.3 t 178.46 148.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.962 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.608 HD21 ' N ' ' A' ' 576' ' ' SER . 16.9 mt -118.53 -13.17 9.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.486 ' ND2' ' N ' ' A' ' 604' ' ' ASN . 0.0 OUTLIER -133.74 52.03 7.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.857 ' HB3' HG21 ' A' ' 602' ' ' THR . 74.0 Cg_endo -77.93 -172.91 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.945 2.43 . . . . 0.0 113.238 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 33.9 tt0 -131.27 119.32 21.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.367 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.792 ' HB2' HG22 ' A' ' 561' ' ' ILE . 69.3 m-85 -85.35 -53.41 5.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.395 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.7 OUTLIER 48.37 50.71 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.171 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.48 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.2 mt-10 -110.91 139.88 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.224 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.758 ' CE1' HG22 ' A' ' 596' ' ' THR . 29.8 m-85 -90.4 172.28 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.889 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.848 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.3 t80 -142.9 121.17 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.526 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.595 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.8 m-85 -102.86 154.01 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -108.14 65.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.869 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -131.79 143.91 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -75.13 134.55 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.581 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 43.0 t-80 -45.42 -44.04 11.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -21.72 58.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.869 ' CB ' HD11 ' A' ' 615' ' ' ILE . 58.3 m-20 -102.36 -29.26 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.684 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.56 -67.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.811 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.3 -52.19 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.686 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 622' ' ' LYS . . . . . 0.509 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -64.16 -15.62 60.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.263 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.742 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.2 OUTLIER -71.5 -179.57 2.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.659 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 54.3 p -154.9 104.63 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.316 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 646' ' ' LEU . 62.7 tp -80.42 122.26 26.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.21 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -108.04 97.37 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.688 ' H ' HD12 ' A' ' 627' ' ' ILE . 2.4 mp -91.72 112.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.512 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 10.3 m -124.66 139.47 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 111.361 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.636 ' CG2' HD21 ' A' ' 675' ' ' LEU . 4.0 t -108.47 129.59 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 48.1 m95 -126.32 151.16 47.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 111.259 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.547 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.3 OUTLIER -87.92 133.21 33.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.132 0.491 . . . . 0.0 110.598 179.502 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.696 ' CG ' HG21 ' A' ' 598' ' ' ILE . 19.0 t80 -89.07 148.65 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.964 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.495 ' HB2' ' HB2' ' A' ' 636' ' ' LYS . 50.7 m-20 -155.18 106.27 2.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.563 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -48.95 128.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.211 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.75 -7.37 50.11 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.76 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 636' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 633' ' ' ASP . 5.1 mmtt -106.35 175.63 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.059 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 15.7 m -96.61 30.91 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.477 ' OD1' ' HA ' ' A' ' 632' ' ' TYR . 90.7 m-20 62.0 -176.8 0.13 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 631' ' ' ASP . 2.9 m-20 -144.79 154.58 42.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.204 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.598 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.19 119.35 32.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.69 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.669 HG12 ' HE1' ' A' ' 570' ' ' MET . 64.3 mt -99.36 -38.85 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.676 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.75 160.46 9.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.45 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.14 -168.36 23.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.664 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.03 12.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.487 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 3.5 pt20 -120.27 156.67 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.963 HD11 ' NE2' ' A' ' 673' ' ' HIS . 47.6 mt -146.76 94.3 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.08 137.71 9.02 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.985 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.2 tt -52.44 -19.03 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 120.825 0.345 . . . . 0.0 111.764 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 26.0 t -74.54 -1.85 23.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 0.0 110.334 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 650' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 N--CA 1.455 -0.182 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.405 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.517 ' HB2' ' HB1' ' A' ' 650' ' ' ALA . 2.3 mmt85 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.952 0.405 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 648' ' ' ILE . 25.3 tp -89.93 -62.11 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.533 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 1.7 ptpt -42.42 -52.95 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.082 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.67 ' CD2' HG22 ' A' ' 669' ' ' ILE . 6.3 t-80 -63.61 -62.02 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.65 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 55.7 t-105 -55.13 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.993 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.985 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -31.18 -57.67 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.939 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.788 ' HB3' HD12 ' A' ' 669' ' ' ILE . 25.3 mm-40 -38.03 -48.87 1.24 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.165 0.507 . . . . 0.0 110.342 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 33.6 t -43.31 -37.25 2.16 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.26 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.811 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.6 mp -71.4 -35.69 71.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.751 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.498 ' CD ' ' OE1' ' A' ' 660' ' ' GLU . 0.2 OUTLIER -79.38 -36.66 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.938 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.566 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.6 m-20 -108.66 48.95 0.83 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 3.4 mtmt -36.22 -81.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -50.92 -20.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.566 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 3.0 mmtt -88.16 158.29 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.473 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.1 OUTLIER -105.06 143.85 32.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 0.0 111.671 -179.436 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.2 mm -123.66 92.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.113 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 10.3 pm0 -103.58 133.67 48.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 111.819 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 545' ' ' LEU . 15.5 mmt180 -152.25 178.84 9.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.208 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.923 ' CE2' HD13 ' A' ' 545' ' ' LEU . 87.6 m95 -110.64 131.94 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.963 ' NE2' HD11 ' A' ' 646' ' ' LEU . 4.4 m-70 -115.41 129.68 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.33 102.23 5.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.676 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.2 mt -45.33 130.45 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.466 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 66.9 mt-30 -119.64 174.41 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.635 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.727 -0.149 . . . . 0.0 112.727 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -124.29 143.42 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.515 HG23 HG23 ' A' ' 546' ' ' VAL . 0.0 OUTLIER -120.16 128.12 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.055 0.455 . . . . 0.0 112.006 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.961 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.3 tp -79.53 116.07 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.515 HG23 HG23 ' A' ' 544' ' ' ILE . 64.2 t -117.26 129.79 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.726 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.6 OUTLIER -106.8 147.86 29.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.109 179.187 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.485 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 26.2 mt -130.06 161.77 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 111.728 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 558' ' ' ILE . 13.5 ttp 174.85 133.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.099 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.525 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 48.0 t80 -109.85 132.53 54.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 111.44 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.25 79.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.891 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.55 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -45.89 -41.41 11.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.202 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.27 -46.11 54.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.136 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.64 -19.26 33.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.07 39.42 32.48 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.357 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.525 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.64 168.25 33.75 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.743 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 558' ' ' ILE . 10.1 tp -93.67 161.6 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.847 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -129.96 119.2 46.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.964 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.639 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.7 t -107.01 120.47 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -106.32 109.63 3.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.376 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 0.918 HG21 HG21 ' A' ' 596' ' ' THR . 3.7 mm -87.92 98.01 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.844 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -75.5 -78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.066 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.48 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -158.7 170.83 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.42 . . . . 0.0 112.042 -178.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.712 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.8 p -128.42 160.55 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.947 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.78 150.07 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 60.95 43.34 11.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.507 179.233 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.712 HD11 ' SG ' ' A' ' 564' ' ' CYS . 66.3 mt -81.48 162.8 23.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.68 163.32 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 575' ' ' TYR . . . -116.41 118.46 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.051 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -84.28 -21.33 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.75 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -91.42 159.07 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.71 -1.35 18.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 -12.47 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.719 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.6 4.81 60.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.62 -169.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 111.874 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.567 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.8 OUTLIER -159.55 176.91 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.452 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 2.6 m-20 -119.92 57.17 4.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.545 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 29.8 Cg_endo -64.63 138.51 59.39 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 123.318 2.679 . . . . 0.0 115.342 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 10.0 p90 -137.7 162.44 33.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.364 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.519 HG23 ' CE2' ' A' ' 607' ' ' PHE . 20.4 t -113.5 129.26 69.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.599 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.579 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.3 mttp -111.61 130.07 55.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.913 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 0.854 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -121.75 136.34 54.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 0.0 111.695 -179.088 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 3.3 t90 -142.78 119.37 11.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.672 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 623' ' ' LYS . 19.1 tp -90.63 110.86 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.977 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.452 ' HG3' ' OG ' ' A' ' 624' ' ' SER . 1.8 mttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 592' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.738 0.304 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 2.8 mmtp -69.61 155.41 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 7.5 m-70 -156.62 170.2 22.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -161.07 119.0 2.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.401 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.918 HG21 HG21 ' A' ' 561' ' ' ILE . 19.4 p -69.61 176.52 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.42 146.54 53.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.228 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.665 HG21 ' CG ' ' A' ' 632' ' ' TYR . 4.3 mm -78.35 122.55 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.971 ' O ' HG22 ' A' ' 602' ' ' THR . 3.6 mmpt? -94.97 62.73 2.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.288 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 31.5 mmtm -35.02 146.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.2 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.497 ' HD2' ' HB3' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 35.95 79.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.392 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.971 HG22 ' O ' ' A' ' 599' ' ' LYS . 3.0 t 177.77 144.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.078 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.7 mt -117.7 -12.23 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -133.47 51.73 7.26 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.821 ' HB3' HG21 ' A' ' 602' ' ' THR . 97.0 Cg_endo -78.65 177.16 9.06 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.918 2.412 . . . . 0.0 113.277 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.48 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 29.8 tt0 -125.58 112.56 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.264 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 562' ' ' ILE . 58.3 m-85 -79.91 -58.1 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.354 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 561' ' ' ILE . 26.3 t-20 54.2 47.34 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.096 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.5 mm-40 -106.86 136.34 46.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.295 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.95 108.33 19.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.461 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 558' ' ' ILE . 21.1 m-85 -90.13 172.05 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.985 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.847 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.5 t80 -144.77 122.79 12.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.625 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.639 ' CE1' HG21 ' A' ' 559' ' ' VAL . 8.2 m-85 -104.44 149.74 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 614' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 614' ' ' ASP . 3.8 p-10 -104.93 51.16 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.773 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.904 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -115.18 142.59 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.939 0.4 . . . . 0.0 110.741 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -72.66 139.23 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.573 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.59 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 50.9 t-80 -49.13 -47.16 45.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 1.3 m -59.5 -13.44 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.904 ' CB ' HD11 ' A' ' 615' ' ' ILE . 18.4 m-20 -108.53 -30.17 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.59 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.08 -65.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.844 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.17 -55.26 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.648 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.18 52.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.303 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.757 ' HD2' HD13 ' A' ' 615' ' ' ILE . 10.8 mmpt? -69.76 -178.58 1.55 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.148 0.499 . . . . 0.0 111.161 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 624' ' ' SER . . . . . 0.452 ' OG ' ' HG3' ' A' ' 585' ' ' LYS . 52.4 p -158.19 103.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.185 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 646' ' ' LEU . 57.1 tp -80.93 123.28 28.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.191 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -109.25 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 646' ' ' LEU . 1.4 mp -91.01 104.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 0.3 OUTLIER -118.27 145.0 45.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.607 ' CG2' HD21 ' A' ' 675' ' ' LEU . 6.1 t -111.58 127.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.743 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.7 m95 -121.77 147.14 46.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.607 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.33 114.66 22.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 109.9 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.665 ' CG ' HG21 ' A' ' 598' ' ' ILE . 40.3 t80 -75.74 162.1 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.444 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.571 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 37.8 m-20 -160.52 125.13 3.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.798 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.664 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -82.72 134.07 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 91.59 -17.93 54.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.797 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.36 -166.42 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 637' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -79.8 -167.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.423 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 4.5 m120 -107.19 -168.62 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.5 m-20 -152.58 141.37 21.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -85.59 118.1 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.046 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.607 HD11 ' HB2' ' A' ' 631' ' ' ASP . 61.4 mt -93.89 -39.87 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.719 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 154.23 159.68 9.35 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.145 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.72 -170.57 23.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.894 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.75 173.07 14.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.738 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 645' ' ' GLN . . . . . 0.483 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 5.3 pt20 -122.95 146.07 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 0.764 HD11 ' NE2' ' A' ' 673' ' ' HIS . 19.3 mt -138.41 93.94 2.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.31 136.31 7.39 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.907 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.2 tt -51.67 -19.3 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 120.798 0.332 . . . . 0.0 111.589 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 46.8 t -73.46 -3.75 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.255 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 648' ' ' ILE . 22.0 tp -82.53 -46.47 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.56 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 5.4 ptpt -54.21 -55.67 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.589 ' CD2' ' HG2' ' A' ' 671' ' ' ARG . 1.0 OUTLIER -60.43 -58.19 9.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.109 0.48 . . . . 0.0 110.611 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.571 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.6 t-105 -59.71 -80.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.907 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -37.45 -65.98 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.32 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -43.4 -31.67 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.204 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 18.7 t -58.97 -41.3 87.23 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.844 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -58.68 -36.23 73.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.928 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 660' ' ' GLU . 11.8 mtmt -79.98 -45.25 18.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.372 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 30.6 m-20 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.311 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.59 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 2.9 mttt -52.5 -88.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.788 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -36.53 -28.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.817 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.3 mmtp -80.99 128.55 33.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.885 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.5 OUTLIER -81.18 125.9 30.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.661 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.9 OUTLIER -106.13 152.67 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.79 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.1 OUTLIER -151.88 147.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.142 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.589 ' HG2' ' CD2' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -169.54 156.3 6.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.886 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.961 ' NE1' HD13 ' A' ' 545' ' ' LEU . 86.0 m95 -91.9 131.96 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.32 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 0.764 ' NE2' HD11 ' A' ' 646' ' ' LEU . 86.5 m-70 -113.06 130.01 56.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 674' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 5.8 pm0 -77.32 103.25 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.688 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 642' ' ' GLY . 85.8 mt -45.86 129.63 9.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.356 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 676' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 63.6 mt-30 -125.87 160.32 30.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.832 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 542' ' ' GLY . . . . . 0.585 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.8 -0.12 . . . . 0.0 112.8 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 564' ' ' CYS . 11.1 mtmt -133.09 142.89 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 544' ' ' ILE . . . . . 0.573 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -117.79 124.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.567 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 545' ' ' LEU . . . . . 0.938 ' HG ' HD13 ' A' ' 562' ' ' ILE . 19.8 tp -79.81 123.54 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.407 HG21 HG21 ' A' ' 627' ' ' ILE . 65.2 t -123.08 138.6 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 547' ' ' SER . . . . . 0.495 ' HB2' ' HG3' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -116.03 126.78 54.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.389 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 548' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 658' ' ' TRP . 12.1 mt -105.94 152.25 23.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.973 0.416 . . . . 0.0 111.194 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.528 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 3.0 ttp -173.59 124.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 550' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 665' ' ' LYS . 44.5 t80 -103.78 131.63 50.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.64 82.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 552' ' ' THR . . . . . 0.614 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.3 p -47.02 -40.91 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.012 0.434 . . . . 0.0 110.157 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.25 -49.54 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.727 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -80.4 -17.72 51.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.286 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.54 40.79 53.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.408 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' GLY . . . . . 0.512 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.5 176.89 33.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.59 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 557' ' ' LEU . . . . . 0.522 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.7 tp -100.36 158.68 15.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.808 0.337 . . . . 0.0 110.686 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.849 HD13 ' CD1' ' A' ' 612' ' ' PHE . 1.1 mm -127.68 121.25 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.2 t -108.29 124.89 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.621 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -115.04 119.35 4.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.559 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' ILE . . . . . 1.091 HD11 HD21 ' A' ' 582' ' ' LEU . 38.5 mm -95.8 99.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.9 mp -77.64 -75.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' ARG . . . . . 0.534 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 1.0 OUTLIER -159.73 166.24 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.926 -178.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 564' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -122.0 161.31 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.847 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.27 145.14 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 67.74 45.54 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.403 179.409 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 567' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 603' ' ' LEU . 33.3 mt -85.38 146.14 27.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 568' ' ' ALA . . . . . 0.558 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -67.99 166.6 15.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 569' ' ' ALA . . . . . 0.508 ' HB1' ' C ' ' A' ' 574' ' ' GLY . . . -110.06 120.32 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.679 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 570' ' ' MET . . . . . 0.546 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -93.15 -18.9 22.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.355 -179.065 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -97.23 161.45 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.223 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -70.62 -8.46 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.01 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -82.33 -9.35 59.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 574' ' ' GLY . . . . . 0.508 ' C ' ' HB1' ' A' ' 569' ' ' ALA . . . 92.98 15.42 52.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.643 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 575' ' ' TYR . . . . . 0.592 ' C ' HD21 ' A' ' 603' ' ' LEU . 3.0 m-85 -126.46 -169.7 2.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.411 . . . . 0.0 111.816 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 576' ' ' SER . . . . . 0.581 ' N ' HD21 ' A' ' 603' ' ' LEU . 22.3 m -151.76 -179.71 7.68 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.911 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 577' ' ' ASP . . . . . 0.532 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 7.1 m-20 -130.79 59.22 44.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.39 0.614 . . . . 0.0 109.451 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 578' ' ' PRO . . . . . 0.788 ' HB3' HD12 ' A' ' 641' ' ' ILE . 38.2 Cg_endo -68.61 150.03 74.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.521 2.814 . . . . 0.0 115.5 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 579' ' ' PHE . . . . . 0.611 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 19.7 p90 -147.09 160.88 41.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.687 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 580' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 629' ' ' VAL . 22.7 t -115.31 133.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.759 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 581' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.2 OUTLIER -115.6 132.96 56.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.477 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 582' ' ' LEU . . . . . 1.091 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -120.36 139.8 52.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 111.829 -178.651 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 583' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.55 119.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.948 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 584' ' ' LEU . . . . . 0.612 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 21.5 tp -92.92 107.16 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 585' ' ' LYS . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 1.7 mtpp . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.948 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.756 0.313 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.532 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 9.2 mttp -75.67 151.7 37.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.823 ' HB2' HD12 ' A' ' 582' ' ' LEU . 18.9 m-70 -145.18 176.95 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.78 119.68 2.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.104 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 596' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.2 p -78.48 161.83 26.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.895 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.7 155.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.791 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 598' ' ' ILE . . . . . 0.655 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.0 OUTLIER -87.0 126.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.631 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 599' ' ' LYS . . . . . 0.922 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -96.82 36.68 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.542 . . . . 0.0 110.289 179.311 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.571 ' HD3' ' CD1' ' A' ' 632' ' ' TYR . 3.8 mttp -28.7 140.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.156 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 601' ' ' LYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 68.34 58.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.091 179.092 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 602' ' ' THR . . . . . 0.922 HG22 ' O ' ' A' ' 599' ' ' LYS . 6.3 t 178.88 148.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.017 0.437 . . . . 0.0 111.624 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.2 mt -116.18 -12.79 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.754 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.443 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -134.35 52.94 8.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.89 ' HB3' HG21 ' A' ' 602' ' ' THR . 83.0 Cg_endo -79.25 176.84 9.28 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.031 2.487 . . . . 0.0 113.322 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 606' ' ' GLU . . . . . 0.534 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -128.58 115.36 17.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.12 179.235 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 607' ' ' PHE . . . . . 0.682 ' HB2' HG22 ' A' ' 561' ' ' ILE . 73.3 m-85 -79.72 -49.32 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.452 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 608' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 49.42 50.17 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 110.02 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 609' ' ' GLU . . . . . 0.451 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 5.2 mt-10 -109.24 136.22 49.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.192 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.1 111.45 22.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 611' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 558' ' ' ILE . 45.3 m-85 -95.51 174.1 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.628 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' PHE . . . . . 0.849 ' CD1' HD13 ' A' ' 558' ' ' ILE . 5.5 t80 -145.08 117.0 8.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 613' ' ' TYR . . . . . 0.612 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 4.6 m-85 -99.22 149.07 23.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.4 69.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 615' ' ' ILE . . . . . 0.891 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -128.62 145.4 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 616' ' ' LYS . . . . . 0.413 ' N ' HG13 ' A' ' 615' ' ' ILE . 1.2 mtpt -75.03 131.95 40.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 617' ' ' HIS . . . . . 0.581 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 46.9 t-80 -43.49 -49.52 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -15.02 8.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.306 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' ASP . . . . . 0.891 ' CB ' HD11 ' A' ' 615' ' ' ILE . 0.9 OUTLIER -105.54 -28.25 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.623 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 620' ' ' LEU . . . . . 0.599 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.76 -68.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.698 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 621' ' ' ALA . . . . . 0.835 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.26 -49.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.002 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -18.35 65.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.598 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 623' ' ' LYS . . . . . 0.755 ' HE3' HD13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -69.92 -174.89 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 0.0 111.403 -179.564 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 624' ' ' SER . . . . . 0.433 ' C ' HD12 ' A' ' 584' ' ' LEU . 25.9 p -160.05 104.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.614 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.488 HD21 ' CG1' ' A' ' 559' ' ' VAL . 54.6 tp -79.97 118.85 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.884 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -104.66 96.99 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 627' ' ' ILE . 3.4 mp -91.87 104.11 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 628' ' ' SER . . . . . 0.519 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 51.6 p -115.73 135.79 53.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.151 0.5 . . . . 0.0 111.815 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 629' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 580' ' ' VAL . 20.2 t -107.88 121.78 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 630' ' ' TRP . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 34.4 m95 -121.23 152.32 38.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.362 . . . . 0.0 111.37 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 631' ' ' ASP . . . . . 0.584 ' HB2' HD11 ' A' ' 641' ' ' ILE . 1.0 OUTLIER -86.58 135.77 33.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.027 179.04 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 632' ' ' TYR . . . . . 0.655 ' CD2' HD12 ' A' ' 598' ' ' ILE . 32.0 t80 -98.09 158.03 15.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.987 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 633' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 632' ' ' TYR . 74.1 m-20 -155.61 125.4 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 634' ' ' ILE . . . . . 0.596 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -77.91 139.46 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.72 -7.49 49.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.608 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.41 -174.53 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 7.8 m -80.45 -178.35 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -93.67 -173.52 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 639' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.6 m-20 -147.26 149.32 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 640' ' ' TYR . . . . . 0.584 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -87.05 117.46 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 641' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 578' ' ' PRO . 9.2 mt -95.4 -42.64 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.679 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 642' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 150.76 158.05 8.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 643' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.02 -160.79 10.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.778 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.9 154.76 18.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.756 0.312 . . . . 0.0 110.818 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.53 136.49 40.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 646' ' ' LEU . . . . . 1.062 HD11 ' NE2' ' A' ' 673' ' ' HIS . 10.5 mt -126.61 93.91 3.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.082 0.468 . . . . 0.0 111.475 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -142.67 142.2 11.35 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 648' ' ' ILE . . . . . 0.959 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.4 tt -55.35 -16.97 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 120.91 0.386 . . . . 0.0 111.49 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -80.14 4.02 18.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 109.957 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.212 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.325 -179.839 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 654' ' ' ARG . . . . . 0.522 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.2 mtm-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.785 0.326 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.3 tp -57.83 -40.94 81.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 656' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 25.2 mttm -59.25 -43.67 92.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.979 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 657' ' ' HIS . . . . . 0.511 ' NE2' ' O ' ' A' ' 669' ' ' ILE . 10.4 t-160 -73.86 -67.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.69 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 658' ' ' TRP . . . . . 0.662 ' HA ' HD12 ' A' ' 548' ' ' LEU . 52.8 t-105 -43.92 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.54 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 659' ' ' TYR . . . . . 0.959 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.4 OUTLIER -36.12 -54.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.398 179.545 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 660' ' ' GLU . . . . . 0.873 ' HB3' HD12 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -38.47 -44.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 -179.369 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 661' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 557' ' ' LEU . 45.6 t -49.36 -37.17 23.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.472 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 662' ' ' LEU . . . . . 0.835 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.8 mp -68.11 -40.5 82.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 663' ' ' LYS . . . . . 0.455 ' HD3' ' OE1' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -79.49 -33.89 41.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.353 0.597 . . . . 0.0 109.662 179.614 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.614 ' HB2' HD11 ' A' ' 669' ' ' ILE . 9.8 m-80 -109.5 45.21 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.676 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 665' ' ' LYS . . . . . 0.614 ' HD2' HG22 ' A' ' 552' ' ' THR . 3.9 mtmt -35.61 -92.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 666' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 0.5 OUTLIER -42.7 -27.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.086 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 667' ' ' LYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 0.9 OUTLIER -79.9 150.04 30.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 668' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 2.4 mtpt -90.17 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.693 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 669' ' ' ILE . . . . . 0.873 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.1 mm -139.09 98.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 670' ' ' GLU . . . . . 0.495 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 0.8 OUTLIER -102.85 133.27 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.424 -179.249 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 671' ' ' ARG . . . . . 0.498 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 1.5 mmm180 -153.56 162.08 41.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 672' ' ' TRP . . . . . 0.803 ' NE1' HD13 ' A' ' 545' ' ' LEU . 90.2 m95 -101.89 130.49 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 673' ' ' HIS . . . . . 1.062 ' NE2' HD11 ' A' ' 646' ' ' LEU . 33.1 m-70 -113.71 129.47 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.068 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.54 117.52 15.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.076 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' ' 642' ' ' GLY . 83.7 mt -63.87 128.9 37.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.208 0.527 . . . . 0.0 111.595 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -125.22 160.94 28.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.509 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.125 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 2.5 ptp180 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.726 0.298 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.579 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 112.27 177.6 19.93 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.616 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -131.3 147.63 52.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.628 0.251 . . . . 0.0 110.537 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.61 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.98 128.58 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.585 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.891 HD13 ' CE2' ' A' ' 672' ' ' TRP . 16.2 tp -79.84 116.1 19.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.729 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 670' ' ' GLU . 53.9 t -113.38 128.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.776 ' HB3' HD11 ' A' ' 562' ' ' ILE . 26.5 p -110.36 111.52 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.487 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 17.2 mt -92.52 166.65 12.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 111.59 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.524 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.4 tmm? 171.74 127.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.191 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.542 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 50.2 t80 -107.83 136.32 47.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.951 0.405 . . . . 0.0 111.449 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' SER . . . . . 0.404 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.1 OUTLIER -107.9 84.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.869 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.665 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.1 p -51.22 -39.66 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.61 -46.56 58.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.301 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 554' ' ' GLN . 7.4 mm-40 -85.45 -18.75 32.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.05 39.36 32.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.382 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.542 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -151.67 173.6 30.94 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.604 HD12 ' H ' ' A' ' 558' ' ' ILE . 6.6 tp -99.95 161.42 13.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.746 0.308 . . . . 0.0 110.633 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.845 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -130.16 120.85 50.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.938 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 582' ' ' LEU . 3.1 t -108.43 125.35 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.412 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -116.84 109.38 1.91 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.076 -1.059 . . . . 0.0 113.649 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.011 HD11 ' CD2' ' A' ' 582' ' ' LEU . 42.1 mm -87.39 93.95 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.844 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -70.87 -75.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.551 ' HG3' ' CH2' ' A' ' 672' ' ' TRP . 2.2 ptm180 -157.07 174.91 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.876 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.6 p -131.56 161.12 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.01 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.41 HG13 ' CH2' ' A' ' 672' ' ' TRP . 18.7 m -147.9 152.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 112.34 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.23 46.78 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.319 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.753 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.5 mt -84.14 154.68 22.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.564 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -73.29 164.35 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.495 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.492 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.78 120.75 43.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.661 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -93.33 -19.07 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.151 -179.066 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -98.68 160.16 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.88 -5.62 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.248 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.79 -11.54 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.642 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.97 14.44 52.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.628 ' HA ' HD21 ' A' ' 603' ' ' LEU . 3.0 m-85 -125.95 -169.93 2.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.844 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.547 ' N ' HD21 ' A' ' 603' ' ' LEU . 13.7 m -155.01 177.68 11.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.503 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 4.5 m-20 -127.7 56.84 21.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.747 ' HB3' HD12 ' A' ' 641' ' ' ILE . 39.1 Cg_endo -68.85 141.4 48.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 123.502 2.802 . . . . 0.0 115.299 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 15.6 p90 -136.79 162.13 34.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.227 -1.351 . . . . 0.0 107.625 177.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 629' ' ' VAL . 40.9 t -114.98 132.25 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.632 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 3.0 mtpm? -114.37 136.77 52.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.527 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.011 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.85 139.01 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 111.785 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.576 ' CE2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.84 117.34 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.032 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.776 HD11 ' HB3' ' A' ' 623' ' ' LYS . 9.2 tp -97.9 126.77 43.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.783 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.614 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -115.72 174.78 2.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.842 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 53.1 Cg_exo -55.14 -21.33 1.03 Allowed 'Cis proline' 0 C--N 1.351 0.662 0 C-N-CA 123.592 -1.42 . . . . 0.0 112.076 -0.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.614 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 0.0 OUTLIER 88.13 167.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.644 178.612 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 588' ' ' MET . . . . . 0.418 ' N ' ' OD1' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -115.54 -18.2 10.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.519 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.49 ' N ' ' OD1' ' A' ' 587' ' ' ASP . . . -154.07 179.73 30.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.366 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -88.99 18.34 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -118.14 12.37 13.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -69.73 -12.92 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.272 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.53 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 10.0 mttt -84.28 153.02 23.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.84 ' HB2' HD12 ' A' ' 582' ' ' LEU . 17.7 m-70 -144.69 179.11 7.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.26 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.75 119.44 2.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.327 179.395 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.673 HG21 HG21 ' A' ' 561' ' ' ILE . 2.7 p -76.99 165.45 24.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -43.62 148.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.782 HD12 ' CD2' ' A' ' 632' ' ' TYR . 2.1 mm -80.19 122.73 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.493 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.598 ' O ' HG22 ' A' ' 602' ' ' THR . 2.7 mmpt? -93.25 71.23 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 4.8 mmtm -62.0 150.41 38.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.921 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.8 mmtt 41.59 66.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.855 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.6 t -179.44 143.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.204 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 567' ' ' LEU . 13.0 mt -113.51 -12.38 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.83 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.429 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 1.1 m-80 -134.48 53.71 10.17 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.847 ' HB3' HG21 ' A' ' 602' ' ' THR . 83.9 Cg_endo -81.22 -173.13 1.7 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.828 2.352 . . . . 0.0 113.021 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.535 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -135.31 115.98 13.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.365 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.58 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 80.4 m-85 -79.93 -60.07 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.158 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 562' ' ' ILE . 0.8 OUTLIER 59.9 45.48 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -107.1 131.05 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.016 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -105.71 114.73 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 582' ' ' LEU . 55.8 m-85 -97.41 173.93 6.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.978 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.845 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.8 t80 -143.65 118.71 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.619 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.61 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.56 150.7 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.75 70.49 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.125 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.873 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.7 OUTLIER -131.48 143.21 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.653 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 615' ' ' ILE . 24.1 mmtp -72.2 131.39 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.584 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 30.4 t-80 -44.34 -42.79 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -23.34 63.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.99 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.873 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.6 m-20 -100.29 -29.08 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.67 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.82 -67.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.743 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.905 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -35.8 -59.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.933 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 619' ' ' ASP . 0.1 OUTLIER -61.29 -16.04 41.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.643 -179.055 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.776 ' HB3' HD11 ' A' ' 584' ' ' LEU . 8.7 mmpt? -64.88 172.97 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.073 0.463 . . . . 0.0 111.217 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.8 p -150.54 100.78 2.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.244 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.556 HD23 HD11 ' A' ' 627' ' ' ILE . 39.7 tp -79.76 121.71 25.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -104.2 95.27 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.556 HD11 HD23 ' A' ' 625' ' ' LEU . 4.2 mp -90.72 106.84 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.519 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 5.0 m -118.59 139.74 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.118 0.485 . . . . 0.0 111.73 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 580' ' ' VAL . 26.0 t -109.48 122.01 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.453 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.609 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 37.9 m95 -120.48 151.68 39.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.627 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.6 OUTLIER -86.06 137.01 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.291 179.295 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.782 ' CD2' HD12 ' A' ' 598' ' ' ILE . 22.3 t80 -99.29 160.36 14.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.969 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 38.8 m-20 -155.32 127.78 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.5 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -77.55 134.58 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.987 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.48 2.76 51.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -163.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.26 167.73 10.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -80.17 -172.83 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 631' ' ' ASP . 37.5 m-20 -153.48 152.36 30.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.74 119.72 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.02 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.747 HD12 ' HB3' ' A' ' 578' ' ' PRO . 34.4 mt -100.71 -44.51 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 159.15 160.28 10.28 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.65 -162.52 13.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.587 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.59 165.04 26.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -112.29 137.09 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.878 HD11 ' NE2' ' A' ' 673' ' ' HIS . 10.2 mt -128.04 96.95 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.061 0.458 . . . . 0.0 111.81 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -144.81 138.81 8.03 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 1.004 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.3 tt -53.04 -18.45 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 117.036 0.418 . . . . 0.0 111.366 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 18.8 t -71.68 -6.69 42.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -81.27 167.14 19.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.261 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.72 133.83 17.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.681 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' GLY . . . . . 0.439 ' C ' ' HG3' ' A' ' 653' ' ' GLU . . . 126.86 -59.51 0.67 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.927 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.439 ' HG3' ' C ' ' A' ' 652' ' ' GLY . 28.0 mt-10 -150.38 -52.62 0.14 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.557 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.8 mtm180 -50.49 -33.6 21.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.632 0.253 . . . . 0.0 111.4 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.9 tp -65.38 -36.01 82.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 1.3 pttp -63.69 -50.66 68.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.623 ' CD2' HG22 ' A' ' 669' ' ' ILE . 13.1 t-80 -69.71 -52.37 26.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.476 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.597 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.3 t-105 -60.05 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.113 0.482 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 1.004 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.6 OUTLIER -31.82 -59.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.923 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.691 ' CG ' HD12 ' A' ' 669' ' ' ILE . 5.7 pt-20 -43.67 -38.28 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.181 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 23.2 t -51.59 -39.79 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 109.767 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.905 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.7 OUTLIER -62.33 -33.95 75.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 179.339 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -41.43 23.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.839 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.736 ' HB2' HD11 ' A' ' 669' ' ' ILE . 5.3 m120 -100.17 60.52 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.581 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.665 ' HD3' HG22 ' A' ' 552' ' ' THR . 1.9 mttt -53.4 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.331 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -18.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.394 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.1 OUTLIER -89.06 137.04 32.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.729 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.46 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 2.4 mtpt -79.65 123.15 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 664' ' ' ASN . 1.1 mm -112.08 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.651 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 6.0 pm0 -112.98 154.57 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.08 0.467 . . . . 0.0 111.636 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.602 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -174.03 161.31 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.891 ' CE2' HD13 ' A' ' 545' ' ' LEU . 91.9 m95 -89.32 129.23 35.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.254 0.549 . . . . 0.0 112.227 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.878 ' NE2' HD11 ' A' ' 646' ' ' LEU . 26.8 m-70 -108.75 138.4 45.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.198 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -83.32 122.33 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.376 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.467 ' O ' ' HD3' ' A' ' 541' ' ' ARG . 84.0 mt -67.39 137.16 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.083 0.468 . . . . 0.0 111.562 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -128.07 160.91 30.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -102.22 118.09 36.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -100.37 -74.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.21 92.8 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.916 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 2.0 mtt180 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.803 0.335 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.59 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 109.13 -178.16 20.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.538 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.579 ' HD2' HG23 ' A' ' 565' ' ' VAL . 0.0 OUTLIER -138.51 145.33 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.583 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -120.2 128.96 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 111.625 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.918 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.3 tp -79.61 121.68 25.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 88.5 t -115.04 132.23 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.746 ' HB3' HD11 ' A' ' 562' ' ' ILE . 44.7 p -113.81 103.79 11.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 669' ' ' ILE . 13.9 mt -91.09 164.11 14.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 111.808 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.535 ' CG ' ' HA ' ' A' ' 668' ' ' LYS . 0.9 OUTLIER 174.36 128.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.566 ' HD1' HD11 ' A' ' 620' ' ' LEU . 59.2 t80 -103.71 134.18 47.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.903 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' SER . . . . . 0.668 ' OG ' HD11 ' A' ' 558' ' ' ILE . 4.4 p -100.23 92.93 5.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.034 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.422 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.2 p -65.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 109.787 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -53.81 -43.18 69.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.945 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.482 ' HG3' ' HB2' ' A' ' 551' ' ' SER . 0.1 OUTLIER -90.83 -19.55 23.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.226 179.351 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 551' ' ' SER . . . 78.02 38.78 25.65 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.442 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -150.5 168.92 30.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.906 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 5.8 tp -94.51 154.91 17.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 0.0 110.498 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.804 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.6 mm -127.89 123.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.98 0.419 . . . . 0.0 110.901 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 582' ' ' LEU . 3.0 t -113.43 120.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.646 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.455 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -112.06 119.9 5.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.539 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.032 HD11 HD21 ' A' ' 582' ' ' LEU . 38.8 mm -95.53 97.74 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.894 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.4 mp -73.28 -73.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -160.98 178.84 8.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.184 0.516 . . . . 0.0 111.921 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 567' ' ' LEU . 7.0 p -135.0 159.5 41.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.829 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.579 HG23 ' HD2' ' A' ' 543' ' ' LYS . 28.2 m -142.09 147.83 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 53.05 54.71 9.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.399 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.789 ' O ' HD13 ' A' ' 603' ' ' LEU . 11.1 mt -83.5 161.9 21.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.2 150.29 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.58 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -118.5 109.45 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.577 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.8 mtm -90.7 -20.08 22.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.41 158.31 36.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.651 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.96 0.78 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.407 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.56 -4.89 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 88.06 6.56 75.14 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.169 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.58 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.64 -169.15 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.003 0.43 . . . . 0.0 111.815 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.497 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.7 OUTLIER -155.95 171.45 20.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 599' ' ' LYS . 2.1 m-20 -117.52 58.32 2.48 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 109.381 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.712 ' HB3' HD12 ' A' ' 641' ' ' ILE . 33.4 Cg_endo -65.58 139.59 59.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 123.4 2.733 . . . . 0.0 114.964 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.9 p90 -139.33 161.37 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.315 -1.311 . . . . 0.0 107.701 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.663 ' O ' HG23 ' A' ' 596' ' ' THR . 22.0 t -114.41 130.31 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 119.837 -0.745 . . . . 0.0 112.737 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.95 133.94 55.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.303 178.635 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.032 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -121.79 139.79 53.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.005 0.431 . . . . 0.0 111.826 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.565 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.6 t90 -148.91 117.51 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.626 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.1 tp -94.01 115.12 27.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 586' ' ' PRO . 3.0 pttt -94.57 164.71 19.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.559 ' HD2' ' NZ ' ' A' ' 623' ' ' LYS . 1.0 OUTLIER -84.24 107.99 1.12 Allowed 'Cis proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.659 -1.392 . . . . 0.0 111.941 -0.093 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.526 ' C ' ' O ' ' A' ' 586' ' ' PRO . 1.0 OUTLIER -5.02 105.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.354 1.034 . . . . 0.0 112.58 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 -35.31 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.569 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -125.34 -6.5 6.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.257 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.3 OUTLIER 87.2 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 591' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 593' ' ' LYS . 5.6 pttp -75.04 -5.56 44.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.088 0.471 . . . . 0.0 110.772 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.04 -26.51 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.565 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.2 OUTLIER -64.4 160.37 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.1 m-70 -160.32 170.64 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.232 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.56 119.01 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.212 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 580' ' ' VAL . 3.4 p -79.28 161.07 26.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -40.82 144.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.691 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.674 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.6 mm -77.9 126.8 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.363 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 602' ' ' THR . 11.6 mmpt? -92.49 72.6 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.26 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.55 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 35.2 mmtm -51.28 143.72 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.028 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.437 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 31.66 76.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.028 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.805 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.8 t -179.0 144.56 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.769 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.5 mt -119.22 -12.29 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.557 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.2 OUTLIER -129.3 45.79 1.92 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.561 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.805 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.5 Cg_endo -74.64 -174.51 1.89 Allowed 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.966 2.444 . . . . 0.0 112.957 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.4 OUTLIER -132.81 115.84 15.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.28 179.484 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.674 ' CB ' HG22 ' A' ' 561' ' ' ILE . 71.9 m-85 -80.93 -56.01 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' ILE . 5.2 t-20 49.63 46.74 23.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.256 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.454 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 9.5 mm-40 -107.74 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.78 114.28 27.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.784 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 42.4 m-85 -96.7 175.55 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.136 0.493 . . . . 0.0 111.721 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.804 ' HD1' HD13 ' A' ' 558' ' ' ILE . 3.9 t80 -147.27 118.25 7.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.721 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.626 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.16 148.24 24.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.691 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.75 69.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.989 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.904 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -134.28 145.1 33.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -74.48 144.68 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.433 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.534 ' NE2' ' HD3' ' A' ' 665' ' ' LYS . 57.6 t-80 -53.71 -44.67 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -18.71 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.904 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.4 m-20 -101.48 -31.22 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.742 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.689 HD21 HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -33.29 -68.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.889 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.762 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.55 -54.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.025 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -16.9 55.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.082 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.848 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -72.86 164.12 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.292 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.442 ' HB2' ' HE3' ' A' ' 585' ' ' LYS . 0.0 OUTLIER -145.21 103.39 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.911 179.327 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 584' ' ' LEU . 28.5 tp -79.07 154.68 29.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.801 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 626' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 4.2 t0 -132.19 96.29 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.474 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -92.34 92.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.224 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.509 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.2 m -109.16 136.71 48.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.54 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 580' ' ' VAL . 15.3 t -103.75 124.86 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.32 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.606 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 67.8 m95 -121.07 146.57 46.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.232 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 639' ' ' ASP . 0.0 OUTLIER -86.27 118.43 25.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.045 0.45 . . . . 0.0 110.452 179.565 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.674 ' CG ' HG21 ' A' ' 598' ' ' ILE . 52.6 t80 -79.97 161.51 25.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.471 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.6 OUTLIER -160.11 119.02 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.052 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.517 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -70.41 133.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 80.57 -11.48 39.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.801 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -130.67 -176.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.1 m -80.0 -176.18 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.805 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.61 178.73 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 631' ' ' ASP . 37.9 m-20 -139.96 149.51 43.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -93.12 115.92 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.906 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.712 HD12 ' HB3' ' A' ' 578' ' ' PRO . 40.0 mt -96.24 -39.42 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.551 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 149.51 164.0 11.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.307 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -167.94 -163.04 21.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.739 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 644' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 674' ' ' GLN . 5.5 m -165.69 142.71 5.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.43 137.43 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.806 HD11 ' NE2' ' A' ' 673' ' ' HIS . 8.2 mt -120.24 96.74 5.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 111.362 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -145.99 146.11 15.87 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.57 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.898 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -59.19 -13.3 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 120.815 0.341 . . . . 0.0 111.667 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -87.09 13.49 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.462 . . . . 0.0 109.949 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -94.42 171.84 8.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.476 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -149.05 135.2 19.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.615 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 126.98 -58.07 0.7 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.789 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.483 ' HG2' ' N ' ' A' ' 654' ' ' ARG . 0.5 OUTLIER -163.65 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.635 0.218 . . . . 0.0 111.581 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.526 ' HB3' HD23 ' A' ' 646' ' ' LEU . 4.0 mtm180 -51.21 -38.6 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.2 tp -57.55 -37.01 72.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.557 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 9.1 pttt -62.85 -55.52 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.772 ' CE1' HG22 ' A' ' 669' ' ' ILE . 14.1 t60 -59.57 -56.7 18.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -59.63 -80.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.083 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.898 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -38.65 -64.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.286 -179.579 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.9 pt-20 -45.14 -30.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.256 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 11.5 t -61.84 -39.36 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.762 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -59.49 -31.69 69.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.132 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.474 ' CG ' ' OD1' ' A' ' 664' ' ' ASN . 0.7 OUTLIER -78.01 -41.63 35.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.779 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.558 ' HB3' ' CG ' ' A' ' 667' ' ' LYS . 33.5 m-20 -107.78 66.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.702 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.534 ' HD3' ' NE2' ' A' ' 617' ' ' HIS . 0.4 OUTLIER -67.69 -73.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 666' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -33.32 -31.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.67 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.558 ' CG ' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -108.27 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.704 0.287 . . . . 0.0 110.428 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.81 175.75 10.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.456 0.646 . . . . 0.0 112.148 -178.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.772 HG22 ' CE1' ' A' ' 657' ' ' HIS . 0.9 OUTLIER -145.29 118.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.784 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.517 ' CG ' ' HB3' ' A' ' 547' ' ' SER . 5.2 mt-10 -114.4 130.95 56.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.148 0.499 . . . . 0.0 112.184 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.447 ' CG ' ' ND1' ' A' ' 657' ' ' HIS . 4.1 mmt180 -153.99 163.99 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.972 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.918 ' NE1' HD13 ' A' ' 545' ' ' LEU . 80.5 m95 -103.11 132.33 49.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.806 ' NE2' HD11 ' A' ' 646' ' ' LEU . 32.0 m-70 -115.47 129.32 56.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.515 ' OE1' ' CG ' ' A' ' 676' ' ' GLN . 0.0 OUTLIER -76.83 122.04 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.964 0.411 . . . . 0.0 110.342 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 642' ' ' GLY . 90.8 mt -64.77 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.212 0.529 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.515 ' CG ' ' OE1' ' A' ' 674' ' ' GLN . 67.7 mt-30 -125.1 162.6 24.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -105.82 105.24 15.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.817 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -118.17 -62.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' ASN . . . . . 0.439 ' O ' ' CE2' ' A' ' 640' ' ' TYR . 9.5 t-20 -79.98 81.57 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.015 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 5.0 t60 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.902 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.793 0.33 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.916 ' H ' HD12 ' A' ' 675' ' ' LEU . . . -118.54 -145.58 7.81 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.674 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.528 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 1.6 mtmm -132.49 158.19 42.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.693 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -134.98 124.3 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.019 0.438 . . . . 0.0 111.653 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.967 HD13 ' NE1' ' A' ' 672' ' ' TRP . 16.2 tp -79.7 120.58 24.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.449 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 74.6 t -118.31 137.22 52.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.598 ' HB3' HD11 ' A' ' 562' ' ' ILE . 2.1 p -112.89 120.01 39.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.522 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 14.8 mt -100.64 158.04 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 0.0 111.448 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.517 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.2 OUTLIER 175.67 125.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.455 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 41.2 t80 -104.34 131.06 52.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 111.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' SER . . . . . 0.435 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -104.09 77.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 552' ' ' THR . 1.1 p -44.04 -35.41 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.434 . . . . 0.0 110.263 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.495 ' HG3' ' HG2' ' A' ' 554' ' ' GLN . 0.0 OUTLIER -54.31 -56.61 16.82 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.495 ' HG2' ' HG3' ' A' ' 553' ' ' GLN . 1.8 mm-40 -73.71 -15.34 61.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.367 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.78 58.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -160.09 165.15 34.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.729 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.542 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 14.3 tp -89.06 158.91 17.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.664 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.846 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -126.45 124.51 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.922 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 582' ' ' LEU . 2.2 t -114.19 123.16 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.7 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.97 115.45 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.323 -0.942 . . . . 0.0 113.407 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 0.968 HD11 ' CD2' ' A' ' 582' ' ' LEU . 43.4 mm -92.09 94.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.86 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.9 mp -72.84 -75.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.508 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -156.19 177.77 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 112.073 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 567' ' ' LEU . 6.8 p -135.79 159.29 42.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.726 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 543' ' ' LYS . 32.8 m -147.68 145.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 112.42 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.9 t60 67.56 38.88 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.298 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.74 ' O ' HD13 ' A' ' 603' ' ' LEU . 9.6 mt -76.51 156.05 33.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.331 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.457 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -77.17 166.49 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.949 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -120.84 119.58 33.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.496 ' HG3' ' HB2' ' A' ' 639' ' ' ASP . 9.3 mmt -90.97 -23.68 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.619 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -79.59 168.29 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.048 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -81.52 -10.58 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -81.25 -9.42 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.82 8.97 58.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.535 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -119.95 -168.7 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 111.726 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.646 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.9 OUTLIER -158.54 176.52 12.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.372 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.526 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.8 m-20 -122.2 57.31 8.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.606 ' CG ' HD12 ' A' ' 567' ' ' LEU . 37.3 Cg_endo -67.38 141.56 56.7 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 123.392 2.728 . . . . 0.0 115.327 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 11.4 p90 -139.89 162.57 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.119 -1.4 . . . . 0.0 107.545 177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 629' ' ' VAL . 21.6 t -114.47 137.38 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.661 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.592 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.5 mttp -116.99 132.39 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.772 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.968 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.81 134.99 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 111.431 -179.282 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.532 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.3 t90 -145.75 118.46 8.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.623 HD11 ' CB ' ' A' ' 623' ' ' LYS . 21.8 tp -91.18 108.11 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 0.1 OUTLIER -81.72 156.87 70.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.925 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 587' ' ' ASP . 86.8 Cg_endo -94.07 105.64 0.4 Allowed 'Cis proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.481 -1.466 . . . . 0.0 112.547 0.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER 5.94 111.28 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.417 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 588' ' ' MET . . . . . 0.51 ' HG2' ' N ' ' A' ' 589' ' ' GLY . 0.2 OUTLIER -91.7 -35.78 13.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -135.31 1.96 3.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.591 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER 87.67 -25.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.659 0.266 . . . . 0.0 110.933 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -84.12 2.52 39.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -52.88 -25.17 10.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.163 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.49 ' HD3' ' HB2' ' A' ' 583' ' ' TRP . 13.2 mmtp -66.38 153.27 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.541 ' HB3' HD12 ' A' ' 582' ' ' LEU . 5.8 m170 -153.66 169.96 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 111.469 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.34 127.14 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.254 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.733 HG21 HG21 ' A' ' 561' ' ' ILE . 1.4 p -86.8 164.76 16.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.387 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.529 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 2.7 pt20 -44.65 147.19 0.64 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.097 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.644 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.9 mm -80.26 132.36 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.935 0.398 . . . . 0.0 111.561 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.613 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.97 75.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.997 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.488 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 20.3 mmtp -55.22 145.64 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.085 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.478 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.9 OUTLIER 34.73 75.72 0.05 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.956 179.379 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.804 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.3 t 179.01 143.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.4 mt -117.79 -11.76 10.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 13.8 m-80 -131.36 47.76 3.13 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.479 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.804 ' HB3' HG21 ' A' ' 602' ' ' THR . 72.0 Cg_endo -75.96 -170.66 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.082 2.521 . . . . 0.0 113.424 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.508 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -137.0 113.75 10.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.177 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.575 ' HB2' HG22 ' A' ' 561' ' ' ILE . 68.4 m-85 -79.9 -58.26 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.195 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 1.5 t-20 55.53 46.4 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.342 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.437 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 13.3 mm-40 -106.61 136.57 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -107.8 115.26 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 28.7 m-85 -98.44 176.72 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.229 0.537 . . . . 0.0 112.071 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.846 ' HD1' HD13 ' A' ' 558' ' ' ILE . 8.3 t80 -150.86 121.94 7.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.331 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.612 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.67 151.91 21.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 65.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.896 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -128.64 143.41 41.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -73.26 132.18 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.537 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 52.3 t-80 -45.13 -47.23 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.025 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 37.7 t -57.58 -15.71 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.896 ' CB ' HD11 ' A' ' 615' ' ' ILE . 5.7 m-20 -105.93 -28.85 10.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.727 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.611 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.35 -67.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.763 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -35.84 -49.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.869 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.622 ' HE2' ' HB3' ' A' ' 621' ' ' ALA . 0.0 OUTLIER -66.85 -22.61 65.98 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.875 0.369 . . . . 0.0 111.579 -179.055 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.771 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.8 mmpt? -69.77 173.88 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.143 0.497 . . . . 0.0 111.364 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 91.0 p -146.73 105.12 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 646' ' ' LEU . 40.6 tp -79.51 114.18 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.058 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -104.49 100.65 10.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 646' ' ' LEU . 2.3 mp -92.04 109.56 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.501 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 85.1 p -115.04 153.43 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 580' ' ' VAL . 25.3 t -127.02 125.41 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.76 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.592 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 35.3 m95 -120.47 143.06 48.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.091 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.82 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.39 106.88 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 0.0 110.352 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.644 ' CD2' HD12 ' A' ' 598' ' ' ILE . 39.7 t80 -59.52 165.6 2.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.105 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 36.9 m-20 -158.77 119.03 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.551 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -78.46 137.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 61.78 15.43 48.16 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 636' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 634' ' ' ILE . 0.0 OUTLIER -155.5 -179.01 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.4 OUTLIER -80.95 155.73 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 1.1 m-80 -77.87 -162.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.496 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 28.2 m-20 -159.39 141.15 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.8 OUTLIER -82.99 115.7 21.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.82 HD11 ' HB2' ' A' ' 631' ' ' ASP . 60.6 mt -91.09 -40.5 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 676' ' ' GLN . . . 154.33 169.23 18.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.696 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.15 -179.81 39.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.26 158.88 43.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 7.6 pt20 -109.29 146.72 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.72 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.883 HD11 ' NE2' ' A' ' 673' ' ' HIS . 25.4 mt -137.47 91.63 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.9 145.17 17.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.871 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.946 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.5 tt -59.53 -13.04 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 120.818 0.342 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.7 t -86.07 12.38 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.222 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -95.71 -165.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 5.9 mmtt -150.47 132.01 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 100.98 -115.89 5.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.641 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.12 -48.45 9.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 0.0 110.999 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 646' ' ' LEU . 0.0 OUTLIER -43.57 -31.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.946 HD12 ' HA ' ' A' ' 648' ' ' ILE . 14.9 tp -90.17 -47.56 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.8 mttt -47.41 -66.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.321 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.64 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 14.2 t-160 -55.84 -52.98 62.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -61.15 -77.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.352 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.573 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -46.04 -64.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.271 -179.273 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.578 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.7 pt-20 -43.62 -31.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 12.7 t -63.18 -42.06 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.763 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -54.0 -30.6 47.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.796 178.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 663' ' ' LYS . 0.0 OUTLIER -81.22 -40.38 23.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.691 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.512 ' OD1' ' CD ' ' A' ' 667' ' ' LYS . 15.9 m-20 -100.11 68.82 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.55 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.537 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.6 OUTLIER -58.57 -79.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.454 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.13 -21.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.911 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.512 ' CD ' ' OD1' ' A' ' 664' ' ' ASN . 0.3 OUTLIER -97.79 131.34 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 0.0 110.791 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -80.37 163.23 24.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.494 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.64 ' CG2' ' CD2' ' A' ' 657' ' ' HIS . 1.0 OUTLIER -137.98 117.67 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.696 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.543 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 13.6 mp0 -108.39 131.71 54.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.391 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.424 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 0.2 OUTLIER -152.09 161.52 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.468 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.967 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.5 m95 -103.14 134.16 47.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.743 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.883 ' NE2' HD11 ' A' ' 646' ' ' LEU . 90.7 m-70 -120.43 129.36 53.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.528 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 68.0 mt-30 -75.84 120.18 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.916 HD12 ' H ' ' A' ' 542' ' ' GLY . 97.7 mt -55.04 127.8 30.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.519 . . . . 0.0 111.527 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 677' ' ' ASN . 3.0 pt20 -106.79 -179.47 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.031 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.534 ' N ' ' HG3' ' A' ' 676' ' ' GLN . 3.3 m-20 -121.34 114.85 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 678' ' ' GLU . . . . . 0.566 ' CG ' ' N ' ' A' ' 679' ' ' ASN . 0.1 OUTLIER -90.19 -79.44 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.906 -179.77 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 679' ' ' ASN . . . . . 0.566 ' N ' ' CG ' ' A' ' 678' ' ' GLU . 1.6 t-20 -133.88 -169.49 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.97 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 13.8 m80 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.956 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.775 0.321 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.577 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 110.77 178.4 20.56 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.574 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 139.05 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.701 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.509 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -117.79 124.53 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.453 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.938 ' HG ' HD13 ' A' ' 562' ' ' ILE . 15.9 tp -79.64 122.52 26.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.641 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 627' ' ' ILE . 52.7 t -120.96 137.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.1 p -114.2 114.32 25.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.311 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 669' ' ' ILE . 7.0 mt -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.043 0.449 . . . . 0.0 111.348 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 558' ' ' ILE . 3.4 tmm? -179.53 136.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.7 t80 -112.31 132.45 54.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.975 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' SER . . . . . 0.484 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -103.65 87.41 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.597 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -54.7 -38.5 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.051 0.453 . . . . 0.0 110.129 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -47.44 -45.45 25.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.953 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -90.83 -19.63 23.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.527 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 77.97 38.34 26.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.529 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -147.65 171.03 28.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.632 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 558' ' ' ILE . 9.2 tp -96.26 161.48 13.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 110.697 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.847 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -131.35 132.06 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.205 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.885 HG11 HD22 ' A' ' 582' ' ' LEU . 2.8 t -121.22 121.3 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.623 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.14 114.07 3.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.447 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 0.957 HD11 ' CD2' ' A' ' 582' ' ' LEU . 28.0 mm -93.32 97.1 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.9 mp -75.81 -75.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.8 OUTLIER -160.62 173.29 15.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 112.007 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.0 OUTLIER -128.52 160.95 30.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.802 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 30.6 m -147.27 145.69 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.313 0.578 . . . . 0.0 112.548 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.533 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.28 51.37 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.675 179.199 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.707 ' O ' HD13 ' A' ' 603' ' ' LEU . 35.3 mt -89.13 142.1 27.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.815 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -71.29 152.98 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.368 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.562 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -112.27 108.73 18.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.495 ' HE1' HG12 ' A' ' 641' ' ' ILE . 3.1 mtm -85.53 -24.76 27.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.921 0.391 . . . . 0.0 110.988 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.3 156.12 35.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -75.11 1.46 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.28 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -91.9 -9.28 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.836 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.483 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.19 -0.76 64.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.248 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.562 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -123.26 -169.36 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.979 0.419 . . . . 0.0 111.823 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.462 ' C ' ' HD3' ' A' ' 578' ' ' PRO . 0.4 OUTLIER -149.55 170.38 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.971 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 45.0 m-20 -115.9 64.25 2.4 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.569 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 37.1 Cg_endo -67.21 135.66 37.84 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 123.088 2.525 . . . . 0.0 115.681 -177.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.623 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 35.3 p90 -144.36 161.01 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.156 176.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 629' ' ' VAL . 42.5 t -117.03 136.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 119.707 -0.797 . . . . 0.0 113.121 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.606 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 6.3 mttt -115.96 133.25 56.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.5 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.957 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.7 135.46 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.814 0.34 . . . . 0.0 111.405 -179.44 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.592 ' CE3' ' HE3' ' A' ' 593' ' ' LYS . 5.6 t90 -144.44 121.26 11.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.995 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 623' ' ' LYS . 16.3 tp -96.89 109.48 22.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.2 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.526 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER -91.26 159.93 38.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.393 179.706 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' A' ' 585' ' ' LYS . 5.7 Cg_exo -80.21 109.58 1.56 Allowed 'Cis proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.963 -1.266 . . . . 0.0 111.929 0.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.498 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 5.4 p-10 -24.34 107.49 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.711 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 2.2 ptp -79.43 -25.32 42.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.138 0.494 . . . . 0.0 110.254 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -137.37 -137.42 3.61 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.94 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -129.36 8.94 5.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.817 0.341 . . . . 0.0 110.587 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -116.47 10.25 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -67.31 -17.62 64.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.592 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 7.9 mmtm -83.65 157.98 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.76 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.3 m-70 -153.99 170.82 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 111.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.16 119.78 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.426 179.483 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.912 HG21 HG21 ' A' ' 561' ' ' ILE . 8.1 p -74.03 164.24 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.796 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -49.19 140.5 9.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.426 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.788 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.0 mm -81.18 119.52 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.869 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.28 60.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.057 0.456 . . . . 0.0 110.261 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.532 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.1 OUTLIER -48.88 138.23 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -179.434 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.507 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 68.81 63.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.115 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.873 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.1 t 178.71 149.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 567' ' ' LEU . 19.6 mt -119.63 -13.21 9.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -133.79 52.19 7.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.873 ' HB3' HG21 ' A' ' 602' ' ' THR . 96.1 Cg_endo -78.32 179.84 6.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 123.002 2.468 . . . . 0.0 112.961 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 25.3 tt0 -128.24 118.88 24.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.396 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 562' ' ' ILE . 51.8 m-85 -87.03 -61.37 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 561' ' ' ILE . 2.1 t-20 56.4 45.97 21.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.255 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.525 ' OE1' ' CG2' ' A' ' 558' ' ' ILE . 0.2 OUTLIER -103.41 121.53 42.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.437 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.559 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 30.1 m-85 -102.61 178.46 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.008 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.847 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.6 t80 -150.73 121.89 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.461 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.3 m-85 -101.7 154.18 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.533 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -109.08 65.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.882 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -131.57 139.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.735 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -72.21 131.27 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.456 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.0 t-80 -41.51 -51.71 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.0 m -52.24 -19.42 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.882 ' CB ' HD11 ' A' ' 615' ' ' ILE . 61.4 m-20 -102.43 -30.36 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.716 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.3 -66.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.646 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.814 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.91 -48.18 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.478 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.95 -17.31 64.58 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.186 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.811 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.0 mmpt? -74.0 -177.33 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.374 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.14 102.99 1.45 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.982 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 18.8 tp -79.39 138.15 37.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.129 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.59 95.56 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.591 HD11 HD12 ' A' ' 646' ' ' LEU . 1.4 mp -90.69 104.31 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.487 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.0 m -117.96 143.56 46.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.796 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 580' ' ' VAL . 14.9 t -111.92 136.54 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.286 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.623 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 47.9 m95 -128.51 148.62 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.312 . . . . 0.0 111.832 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.524 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.8 OUTLIER -87.83 93.99 9.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.118 0.485 . . . . 0.0 109.868 178.381 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.788 ' CG ' HG21 ' A' ' 598' ' ' ILE . 26.7 t80 -53.23 162.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.5 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -159.3 124.37 4.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.71 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.701 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -85.72 138.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.99 -13.94 41.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.669 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 -166.71 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.021 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -79.64 173.15 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -89.66 -161.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 631' ' ' ASP . 16.3 m-20 -156.05 142.84 18.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.562 ' HA ' ' CE3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -87.06 114.57 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' A' ' 631' ' ' ASP . 31.1 mt -91.02 -37.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 147.27 166.94 12.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -165.17 -164.0 19.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.608 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 4.8 p -160.59 143.29 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.494 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 51.9 mt-30 -91.81 148.61 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.591 HD12 HD11 ' A' ' 627' ' ' ILE . 15.3 mt -137.5 84.7 2.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.192 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -128.88 145.47 16.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.63 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.962 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.3 tt -62.57 -10.88 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.0 111.437 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.8 t -92.51 16.5 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.913 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -94.24 -171.29 2.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.292 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -157.36 132.37 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.761 179.737 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 118.3 -85.6 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.563 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.61 -36.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.056 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.6 mtt-85 -49.3 -38.97 29.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 648' ' ' ILE . 11.5 tp -73.12 -45.85 54.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 8.1 mttm -49.86 -62.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.641 ' CD2' HG21 ' A' ' 669' ' ' ILE . 10.9 t-160 -59.32 -52.96 63.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 59.8 t-105 -59.24 -78.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.264 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.11 -61.37 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.914 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.549 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 12.8 pt-20 -41.98 -34.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 40.8 t -58.39 -41.53 85.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.167 0.508 . . . . 0.0 109.732 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.814 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -58.12 -32.05 67.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.069 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -81.41 -42.64 20.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.509 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 80.3 m-20 -101.15 66.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.468 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.597 ' HD3' HG22 ' A' ' 552' ' ' THR . 15.8 mttt -65.46 -73.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.375 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -20.6 0.55 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.615 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -97.5 136.24 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.4 OUTLIER -79.99 142.76 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.4 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.641 HG21 ' CD2' ' A' ' 657' ' ' HIS . 1.1 mt -111.18 158.12 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.341 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.503 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 11.8 mt-10 -159.34 125.25 4.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.429 ' O ' HD12 ' A' ' 545' ' ' LEU . 6.1 mmm180 -153.19 165.44 35.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.625 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.934 ' NE1' HD13 ' A' ' 545' ' ' LEU . 80.3 m95 -104.56 132.67 50.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.667 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.539 ' NE2' HD11 ' A' ' 646' ' ' LEU . 54.5 m-70 -116.73 129.56 56.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -76.88 105.08 7.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.254 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 567' ' ' LEU . 92.4 mt -40.92 128.17 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.1 mt-30 -125.37 159.8 30.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.475 ' ND2' ' OD1' ' A' ' 679' ' ' ASN . 5.2 t-20 -91.96 129.29 37.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.8 -43.84 62.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 679' ' ' ASN . . . . . 0.475 ' OD1' ' ND2' ' A' ' 677' ' ' ASN . 13.6 p30 -87.03 177.06 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 566' ' ' HIS . 60.4 mtm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.772 0.32 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.62 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . -130.67 -168.05 12.15 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.914 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 674' ' ' GLN . 0.1 OUTLIER -129.27 145.33 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.58 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -119.23 128.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.037 0.446 . . . . 0.0 111.825 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.926 ' HG ' HD13 ' A' ' 562' ' ' ILE . 17.8 tp -79.65 112.39 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.476 HG23 HG23 ' A' ' 544' ' ' ILE . 54.1 t -111.33 130.12 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.082 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.944 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.3 p -114.57 111.87 22.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.624 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 669' ' ' ILE . 41.6 mt -94.37 164.76 12.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.1 0.476 . . . . 0.0 111.256 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.2 ttt 176.51 123.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.575 ' CE1' ' HG ' ' A' ' 620' ' ' LEU . 50.1 t80 -102.45 130.35 49.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.026 0.441 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.61 82.78 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.468 HG22 ' HD2' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -50.62 -33.48 22.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.51 . . . . 0.0 109.907 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -52.38 -49.77 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.664 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -85.54 -15.56 42.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.983 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 73.79 40.4 45.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.396 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.53 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -152.02 173.85 31.14 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.435 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.605 HD12 ' H ' ' A' ' 558' ' ' ILE . 8.6 tp -98.33 160.82 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.83 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -131.95 119.72 41.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.799 HG11 HD22 ' A' ' 582' ' ' LEU . 2.1 t -106.65 120.69 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -110.56 117.4 4.64 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.369 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 0.845 HD11 HD21 ' A' ' 582' ' ' LEU . 10.4 mm -96.57 95.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.944 HD11 ' HB3' ' A' ' 547' ' ' SER . 1.9 mp -73.13 -71.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.6 OUTLIER -160.49 176.56 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 112.008 -179.066 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.62 ' SG ' HD11 ' A' ' 567' ' ' LEU . 4.6 p -133.54 159.79 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.812 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 28.0 m -147.2 144.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.328 0.585 . . . . 0.0 112.565 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.534 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.7 OUTLIER 63.73 44.98 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.608 179.125 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.697 ' O ' HD13 ' A' ' 603' ' ' LEU . 14.9 mt -81.1 157.01 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.881 0.372 . . . . 0.0 111.25 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -76.98 159.11 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.014 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.502 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.19 118.49 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.241 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.49 ' N ' ' OG ' ' A' ' 576' ' ' SER . 11.2 mmt -86.5 -22.14 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.666 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -89.26 157.58 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.39 -3.25 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.75 -11.74 56.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.782 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.502 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.5 7.38 59.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.598 ' C ' HD21 ' A' ' 603' ' ' LEU . 2.9 m-85 -120.89 -168.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 111.702 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.765 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.8 OUTLIER -160.24 177.31 10.78 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.136 0.494 . . . . 0.0 111.417 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.552 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.5 m-20 -122.77 57.93 10.58 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.174 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.709 ' HB3' HD12 ' A' ' 641' ' ' ILE . 35.2 Cg_endo -66.27 138.05 49.78 Favored 'Trans proline' 0 C--O 1.23 0.099 0 C-N-CA 123.283 2.655 . . . . 0.0 115.015 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 12.8 p90 -136.42 161.58 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.326 -1.307 . . . . 0.0 107.785 177.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 629' ' ' VAL . 22.0 t -116.25 128.34 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 119.962 -0.695 . . . . 0.0 112.501 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 0.1 OUTLIER -111.42 135.98 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.806 179.028 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.845 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.13 136.66 53.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 0.0 111.736 -179.118 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.529 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.0 t90 -143.05 115.86 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.926 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.4 tp -93.35 121.42 34.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.053 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.463 ' HA ' ' C ' ' A' ' 586' ' ' PRO . 5.3 mttm -99.64 153.79 37.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.801 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 8.1 Cg_exo -73.26 -179.5 25.18 Favored 'Cis proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.732 -1.778 . . . . 0.0 111.668 -0.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -87.31 104.24 16.22 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.329 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -29.64 24.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.169 0.509 . . . . 0.0 109.804 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -132.45 -136.59 3.82 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.763 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 7.85 3.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.954 0.406 . . . . 0.0 110.573 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.05 6.18 14.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.558 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -52.23 -29.05 20.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.651 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 2.8 mttt -84.51 158.26 21.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.667 ' HB2' HD12 ' A' ' 582' ' ' LEU . 17.9 m-70 -153.36 174.43 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.539 . . . . 0.0 111.694 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.1 OUTLIER -161.14 115.33 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.916 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.4 p -72.98 156.9 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.254 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -40.05 144.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.674 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.9 mm -76.97 123.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.603 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -93.54 68.14 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.7 178.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 1.5 mttt -65.33 137.93 57.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.026 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.505 ' O ' ' HB ' ' A' ' 602' ' ' THR . 27.4 mmtt 64.85 57.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.962 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.804 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.0 t 179.0 145.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 111.375 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.765 HD21 ' N ' ' A' ' 576' ' ' SER . 10.8 mt -118.72 -11.39 9.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.78 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 58.9 m-80 -131.27 47.85 3.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.409 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.804 ' HB3' HG21 ' A' ' 602' ' ' THR . 79.8 Cg_endo -77.11 -172.64 1.5 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.025 2.483 . . . . 0.0 113.432 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.6 mt-10 -132.32 114.96 15.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.096 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.822 ' CB ' HG22 ' A' ' 561' ' ' ILE . 75.0 m-85 -80.03 -57.28 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.654 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.1 t30 52.45 46.8 26.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.004 0.43 . . . . 0.0 110.066 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 12.6 mm-40 -106.43 133.53 50.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.065 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 610' ' ' GLU . 0.2 OUTLIER -110.19 111.11 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 45.5 m-85 -94.58 171.43 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.162 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.83 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.3 t80 -143.58 121.31 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.561 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.612 ' HE1' HG21 ' A' ' 559' ' ' VAL . 7.5 m-85 -102.95 153.3 20.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -108.91 67.9 0.67 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.873 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.7 OUTLIER -135.97 136.15 49.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.46 141.14 54.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.289 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.592 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 56.4 t-80 -50.15 -45.61 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.975 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -23.52 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.873 ' CB ' HD11 ' A' ' 615' ' ' ILE . 0.9 OUTLIER -103.88 -31.16 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.749 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.692 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.76 -66.68 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.536 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.791 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.42 -54.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.484 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -62.56 -15.66 52.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.391 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.808 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.4 mmpt? -70.93 176.93 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.48 102.39 2.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.432 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 582' ' ' LEU . 58.8 tp -79.94 128.19 33.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.214 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -110.14 96.21 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.661 HD11 HD12 ' A' ' 646' ' ' LEU . 1.7 mp -92.2 100.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.755 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 58.0 p -113.08 136.99 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.126 0.488 . . . . 0.0 111.717 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 580' ' ' VAL . 22.0 t -107.32 123.71 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.32 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.8 m95 -123.75 148.62 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.408 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.728 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -85.17 113.93 21.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.002 0.429 . . . . 0.0 109.947 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.766 ' HE1' HG23 ' A' ' 634' ' ' ILE . 49.7 t80 -70.88 166.79 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.392 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.4 m-20 -160.03 126.49 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.588 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.766 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.94 133.25 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 70.36 3.15 45.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.378 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -162.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 110.82 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.42 137.55 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.401 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 6.6 p-10 -55.9 -166.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 631' ' ' ASP . 3.3 m-20 -157.56 145.0 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -84.27 119.14 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.728 HD11 ' HB2' ' A' ' 631' ' ' ASP . 18.2 mt -97.7 -42.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.613 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 153.07 158.79 8.71 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.486 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.54 -165.87 16.6 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.71 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -164.55 145.16 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.499 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 2.1 mt-30 -91.2 149.61 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.682 HD21 ' CE1' ' A' ' 673' ' ' HIS . 15.7 mt -138.14 88.03 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 111.312 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -132.83 143.81 15.58 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.948 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.4 tt -61.49 -12.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-O 121.007 0.432 . . . . 0.0 111.403 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -89.23 15.57 8.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -94.14 -176.85 4.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.285 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 24.5 mmtt -154.6 131.99 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.665 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 652' ' ' GLY . . . . . 0.475 ' O ' ' HD2' ' A' ' 656' ' ' LYS . . . 119.9 -68.23 0.39 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.671 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.498 ' HA ' ' HD3' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -148.45 -46.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.5 OUTLIER -42.81 -27.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.948 HD12 ' HA ' ' A' ' 648' ' ' ILE . 12.2 tp -84.76 -43.61 14.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.138 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 653' ' ' GLU . 3.6 mttp -49.63 -61.13 2.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.551 ' CD2' HG22 ' A' ' 669' ' ' ILE . 12.7 t-160 -64.17 -55.82 19.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 53.8 t-105 -52.77 -70.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.263 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.654 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -50.0 -61.35 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.077 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 17.4 pt-20 -43.54 -27.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.497 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.489 ' SG ' ' CB ' ' A' ' 548' ' ' LEU . 3.5 t -66.63 -42.5 86.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.791 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -56.58 -27.69 58.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.309 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 660' ' ' GLU . 0.4 OUTLIER -79.2 -43.59 23.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.852 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.484 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -103.02 49.15 0.84 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.704 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.592 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 7.0 mtmt -47.36 -63.39 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.337 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.61 -11.78 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.804 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -106.8 147.75 29.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.501 ' HG2' ' N ' ' A' ' 669' ' ' ILE . 1.5 ttpt -80.58 145.69 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.264 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.2 mt -136.28 122.86 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.483 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.7 OUTLIER -129.55 152.1 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 111.716 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.537 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.06 160.64 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.572 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.865 ' CE2' HD13 ' A' ' 545' ' ' LEU . 90.4 m95 -93.04 132.89 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.4 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.682 ' CE1' HD21 ' A' ' 646' ' ' LEU . 77.2 m-70 -113.84 131.08 56.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' A' ' 543' ' ' LYS . 0.5 OUTLIER -79.54 108.09 12.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.612 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 642' ' ' GLY . 64.6 mt -52.55 136.76 31.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.359 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 2.0 mt-30 -118.86 163.65 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.534 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -117.18 111.02 18.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -82.27 -73.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 680' ' ' HIS . 0.1 OUTLIER -123.06 128.12 49.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 680' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 679' ' ' ASN . 43.7 m80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 641' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.787 0.327 . . . . 0.0 111.25 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 109.99 173.82 20.61 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.637 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER -135.39 135.8 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -111.66 129.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.426 . . . . 0.0 111.392 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.934 ' HG ' HD13 ' A' ' 562' ' ' ILE . 15.8 tp -80.98 116.06 20.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 544' ' ' ILE . 54.4 t -115.98 130.64 70.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.287 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.794 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.3 p -115.03 117.32 30.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.4 mt -100.16 164.56 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.407 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.527 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.2 tmm? 174.34 127.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.467 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 557' ' ' LEU . 49.2 t80 -107.9 131.88 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.86 0.362 . . . . 0.0 110.744 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.6 t -99.97 80.67 2.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.131 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 553' ' ' GLN . 1.3 p -52.19 -41.23 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 552' ' ' THR . 0.5 OUTLIER -38.54 -41.79 0.7 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 555' ' ' GLY . 0.0 OUTLIER -99.17 -39.59 8.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.035 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 555' ' ' GLY . . . . . 0.509 ' N ' ' HG3' ' A' ' 554' ' ' GLN . . . 104.92 31.3 4.5 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.567 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.481 ' C ' ' CE2' ' A' ' 550' ' ' TYR . . . -133.11 163.27 24.3 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.815 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.523 ' HA ' ' CD2' ' A' ' 550' ' ' TYR . 11.7 tp -94.69 156.24 16.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.398 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.919 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.0 OUTLIER -129.12 128.92 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.025 0.44 . . . . 0.0 110.972 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.8 t -118.28 121.2 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.639 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -113.39 117.69 4.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.428 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 0.922 HD11 HD21 ' A' ' 582' ' ' LEU . 7.4 mm -97.44 95.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.934 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mp -70.34 -71.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.11 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.508 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -164.67 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 112.081 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.627 ' SG ' HD11 ' A' ' 567' ' ' LEU . 4.1 p -131.18 159.97 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.724 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 31.2 m -145.35 146.37 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.241 0.543 . . . . 0.0 112.329 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 57.57 55.63 5.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.425 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.761 ' O ' HD13 ' A' ' 603' ' ' LEU . 26.9 mt -89.53 149.52 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.773 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -73.3 148.65 43.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.396 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.606 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -113.81 109.83 19.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.636 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.3 mtm -86.04 -25.56 25.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.984 0.421 . . . . 0.0 110.765 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.17 150.53 48.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.615 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.9 -6.85 23.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -83.33 -10.37 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.98 4.82 64.65 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.222 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.606 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -124.85 -169.2 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.932 0.396 . . . . 0.0 111.795 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 0.6 OUTLIER -152.7 176.56 11.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.154 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.541 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 3.5 m-20 -123.63 62.02 23.54 Favored Pre-proline 0 N--CA 1.463 0.196 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.684 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.6 Cg_endo -68.17 144.07 61.66 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.15 2.566 . . . . 0.0 115.289 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 581' ' ' LYS . 19.7 p90 -144.73 162.02 37.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.399 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.613 HG22 HG22 ' A' ' 629' ' ' VAL . 24.4 t -114.62 129.08 71.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 119.756 -0.778 . . . . 0.0 112.851 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.635 ' CD ' ' CD1' ' A' ' 630' ' ' TRP . 0.1 OUTLIER -111.56 130.09 55.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.526 178.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -124.71 133.84 53.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.595 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 5.6 t90 -141.32 116.35 9.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 623' ' ' LYS . 6.8 tp -95.52 120.71 36.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.591 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.1 OUTLIER -101.32 175.27 2.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.584 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 587' ' ' ASP . 36.8 Cg_exo -61.17 -11.29 2.55 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.34 -1.525 . . . . 0.0 112.384 0.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.591 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 0.0 OUTLIER 95.32 137.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.409 179.418 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 588' ' ' MET . . . . . 0.459 ' SD ' ' O ' ' A' ' 614' ' ' ASP . 2.6 ptp -100.79 -39.43 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.709 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -138.69 -140.45 3.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -111.62 5.28 19.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.733 0.301 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -101.48 -2.67 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.983 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -56.57 -23.12 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.086 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.595 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.0 OUTLIER -92.51 164.69 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.835 ' HB2' HD12 ' A' ' 582' ' ' LEU . 22.7 m-70 -160.57 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.526 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.532 ' HG3' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -160.05 110.68 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.677 HG21 HG21 ' A' ' 561' ' ' ILE . 10.9 p -65.26 150.16 48.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.965 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 596' ' ' THR . 3.3 mt-30 -38.91 139.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.821 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.7 mm -75.89 119.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -96.82 74.82 2.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.588 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -64.73 139.11 58.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.442 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 65.76 61.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.747 179.342 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.86 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.8 t -178.93 147.69 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 111.216 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 567' ' ' LEU . 16.7 mt -119.46 -12.58 9.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.887 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.5 OUTLIER -132.76 49.64 4.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.431 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.86 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.2 Cg_endo -75.7 -176.99 3.27 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 123.05 2.5 . . . . 0.0 112.976 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.508 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.5 tm-20 -127.28 121.26 30.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.404 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.558 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 60.0 m-85 -87.03 -58.33 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.224 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 561' ' ' ILE . 39.8 t30 49.21 46.13 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.299 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.31 121.67 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.388 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -97.21 114.44 26.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 46.1 m-85 -96.81 178.67 5.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.228 0.537 . . . . 0.0 111.717 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.919 ' HD1' HD13 ' A' ' 558' ' ' ILE . 14.1 t80 -152.44 129.2 10.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.657 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 8.8 m-85 -108.07 156.76 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.62 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.459 ' O ' ' SD ' ' A' ' 588' ' ' MET . 4.7 m-20 -111.05 58.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.084 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.896 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -121.11 142.41 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 615' ' ' ILE . 24.2 mttt -76.33 132.03 39.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.478 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.541 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 56.5 t-80 -42.66 -46.44 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 13.7 m -53.1 -24.46 10.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.896 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.7 m-20 -101.57 -27.99 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.769 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -35.44 -67.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 179.548 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.768 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.82 -57.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.772 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -62.34 -18.74 62.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.589 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.799 ' HD2' HD13 ' A' ' 615' ' ' ILE . 11.4 mmpt? -64.18 170.93 3.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.107 0.48 . . . . 0.0 111.22 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 79.1 p -151.65 102.87 2.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.394 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 646' ' ' LEU . 38.0 tp -85.91 123.28 31.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.095 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 626' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 645' ' ' GLN . 14.7 t0 -107.28 100.38 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 646' ' ' LEU . 3.2 mp -92.54 101.33 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.497 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.5 m -115.96 132.65 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.613 HG22 HG22 ' A' ' 580' ' ' VAL . 10.1 t -102.33 126.13 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.041 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.635 ' CD1' ' CD ' ' A' ' 581' ' ' LYS . 34.5 m95 -124.4 149.65 46.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.966 0.412 . . . . 0.0 111.829 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.551 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.7 OUTLIER -84.88 111.91 20.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.13 179.125 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.821 ' CD2' HD12 ' A' ' 598' ' ' ILE . 28.8 t80 -74.54 164.65 26.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.316 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 19.6 m-20 -160.03 127.59 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.507 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -79.12 137.21 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 635' ' ' GLY . . . . . 0.45 ' O ' ' HD3' ' A' ' 636' ' ' LYS . . . 73.23 -1.23 43.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.833 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 636' ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' ' 635' ' ' GLY . 8.9 mmtm -138.59 -173.64 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.0 OUTLIER -80.05 -169.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 638' ' ' ASN . 0.0 OUTLIER -105.92 176.2 5.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 74.5 m-20 -135.55 145.71 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.682 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.601 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.52 110.09 20.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 111.038 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.636 HG12 ' HE1' ' A' ' 570' ' ' MET . 54.2 mt -88.35 -38.79 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.532 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 153.55 165.34 13.49 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.058 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.97 -167.51 27.76 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.016 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.48 147.11 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.597 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 0.5 OUTLIER -94.84 163.54 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.621 HD11 ' NE2' ' A' ' 673' ' ' HIS . 38.5 mt -150.38 88.45 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.072 0.463 . . . . 0.0 111.479 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.59 144.58 15.7 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.909 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.3 tt -56.64 -15.8 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.982 0.391 . . . . 0.0 111.695 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 3.4 t -77.89 1.26 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.319 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.544 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -88.0 -167.27 1.83 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.333 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.437 ' HG3' ' C ' ' A' ' 650' ' ' ALA . 2.4 mttp -148.7 130.42 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 97.69 -122.31 7.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.685 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 656' ' ' LYS . 18.1 mt-10 -69.64 -53.07 20.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.02 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.544 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER -45.24 -34.69 2.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.762 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 648' ' ' ILE . 23.1 tp -86.32 -46.25 10.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.527 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 10.1 pttt -56.05 -52.76 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.74 ' CE1' HG22 ' A' ' 669' ' ' ILE . 4.7 t60 -62.53 -59.28 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.202 0.525 . . . . 0.0 110.584 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.7 t-105 -59.25 -82.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.239 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.909 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.98 -64.4 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.645 -179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.613 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 3.3 pt-20 -44.91 -33.56 2.03 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.932 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 21.4 t -58.82 -42.42 89.16 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.768 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -55.85 -29.64 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.05 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -83.04 -40.27 20.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.005 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.483 ' OD1' ' HE3' ' A' ' 667' ' ' LYS . 7.5 m-20 -98.27 42.17 1.1 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.541 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.1 OUTLIER -46.19 -65.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.053 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -58.39 -14.91 8.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 549' ' ' MET . 8.4 mtmt -102.65 151.55 22.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.726 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.481 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -90.83 149.36 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.076 0.465 . . . . 0.0 111.348 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.74 HG22 ' CE1' ' A' ' 657' ' ' HIS . 1.1 mt -137.65 120.96 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 18.6 pm0 -129.99 148.63 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.687 ' HG2' ' CD2' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -166.74 163.22 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.917 ' CE2' HD13 ' A' ' 545' ' ' LEU . 88.2 m95 -96.28 131.58 42.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.073 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.621 ' NE2' HD11 ' A' ' 646' ' ' LEU . 38.7 m-70 -109.72 132.07 54.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.5 100.23 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.04 0.448 . . . . 0.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.532 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 91.1 mt -44.67 128.77 6.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.581 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 1.1 mt-30 -120.78 175.92 5.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -107.39 100.41 9.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' GLU . . . . . 0.441 ' HA ' ' OE1' ' A' ' 678' ' ' GLU . 0.0 OUTLIER -49.98 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -97.07 -75.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.941 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.802 0.334 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.555 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 128.43 173.29 13.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.498 ' HD3' ' CG2' ' A' ' 565' ' ' VAL . 0.1 OUTLIER -135.34 141.34 45.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 0.0 110.572 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -118.54 126.7 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.967 0.413 . . . . 0.0 111.466 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.917 HD13 ' CE2' ' A' ' 672' ' ' TRP . 15.5 tp -79.89 120.15 23.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.727 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.68 130.66 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.692 ' HB3' HD11 ' A' ' 562' ' ' ILE . 62.4 p -114.89 105.62 13.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 669' ' ' ILE . 30.6 mt -85.79 162.47 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.386 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.521 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.6 OUTLIER 175.35 123.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.32 179.639 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.479 ' HB3' ' HG2' ' A' ' 665' ' ' LYS . 45.1 t80 -100.17 128.86 46.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 111.241 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.56 77.99 1.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.822 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.406 ' H ' HG23 ' A' ' 552' ' ' THR . 1.5 p -44.7 -42.75 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 109.989 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -46.55 59.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.041 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -82.14 -18.97 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.66 34.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.534 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -159.45 166.2 34.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.7 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.558 ' HB2' HD11 ' A' ' 620' ' ' LEU . 9.1 tp -90.28 159.29 16.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.325 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.833 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -129.72 119.64 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.188 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.768 HG11 HD22 ' A' ' 582' ' ' LEU . 2.1 t -105.58 117.72 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.473 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -104.0 106.6 2.82 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.727 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 0.952 HD11 ' CD2' ' A' ' 582' ' ' LEU . 32.7 mm -87.62 91.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.768 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -71.28 -77.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.538 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 4.5 ptp180 -159.14 168.09 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 111.854 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.653 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.9 OUTLIER -123.08 161.4 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.009 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 565' ' ' VAL . . . . . 0.498 ' CG2' ' HD3' ' A' ' 543' ' ' LYS . 22.5 m -145.61 149.85 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.231 0.539 . . . . 0.0 112.167 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.519 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 2.2 t-80 55.5 48.58 18.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.306 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.998 ' O ' HD13 ' A' ' 603' ' ' LEU . 28.2 mt -83.2 144.09 30.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.761 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.14 150.08 47.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.465 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.632 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -115.92 109.15 17.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.023 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.634 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.9 mtm -86.89 -22.06 25.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 110.861 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.31 150.17 46.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.553 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.19 -7.19 21.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.279 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -83.44 -10.04 58.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.72 5.0 65.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.226 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.612 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.81 -169.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 111.878 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.607 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.6 OUTLIER -153.41 170.1 21.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.126 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 46.5 m-20 -117.81 59.89 3.22 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 41.5 Cg_endo -68.2 142.75 56.56 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.386 2.724 . . . . 0.0 115.752 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.647 ' CE2' ' CE ' ' A' ' 581' ' ' LYS . 13.5 p90 -141.92 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.367 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.664 HG22 HG22 ' A' ' 629' ' ' VAL . 28.2 t -112.62 134.84 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.829 -0.749 . . . . 0.0 112.477 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.647 ' CE ' ' CE2' ' A' ' 579' ' ' PHE . 2.6 mttp -115.83 134.66 54.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.922 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.952 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.9 136.78 53.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.009 0.433 . . . . 0.0 111.477 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.587 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.8 t90 -145.55 118.08 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.953 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.5 tp -94.4 110.47 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.983 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 583' ' ' TRP . 5.5 mttt -85.69 149.61 51.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 4.0 Cg_exo -75.74 -178.72 24.57 Favored 'Cis proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.645 -1.814 . . . . 0.0 111.559 -0.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 587' ' ' ASP . 9.0 p-10 -81.96 105.94 13.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.733 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' MET . . . . . 0.475 ' HE1' HD23 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -79.84 -40.7 27.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -133.43 0.18 4.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.74 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 8.7 tttm 87.75 -35.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 593' ' ' LYS . 0.5 OUTLIER -66.57 -10.77 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.635 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -39.9 -26.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.766 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.587 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.7 mmtp -70.39 155.73 40.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.584 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 14.9 m-70 -156.0 166.44 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 111.373 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.538 ' CG ' ' HD3' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.38 110.6 2.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.883 HG21 HG21 ' A' ' 561' ' ' ILE . 7.3 p -68.01 157.14 35.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.506 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 1.1 pt20 -40.36 151.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.192 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.539 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.4 mm -84.89 121.43 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.334 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.585 ' O ' HG22 ' A' ' 602' ' ' THR . 2.1 mmpt? -90.31 76.29 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.105 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 632' ' ' TYR . 8.4 mmtm -53.8 146.52 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.15 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 33.39 73.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.371 179.155 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.751 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.7 t -177.67 144.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.763 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.6 mt -118.68 -12.56 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 2.7 m-80 -127.85 46.91 2.31 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.751 ' HB3' HG21 ' A' ' 602' ' ' THR . 87.1 Cg_endo -78.26 178.55 7.45 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.863 2.376 . . . . 0.0 113.15 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.538 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 22.6 tt0 -130.76 113.73 14.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 562' ' ' ILE . 66.0 m-85 -79.65 -56.69 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 23.6 t-20 55.46 46.04 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.044 0.449 . . . . 0.0 110.06 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.29 120.16 41.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.337 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.66 106.04 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.438 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 558' ' ' ILE . 19.8 m-85 -86.84 171.53 10.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.829 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.833 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.2 t80 -144.45 122.83 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.38 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.657 ' HE1' HG21 ' A' ' 559' ' ' VAL . 7.2 m-85 -103.0 152.25 21.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -106.07 65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.891 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -134.78 139.7 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.599 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.422 ' HA ' ' OH ' ' A' ' 550' ' ' TYR . 1.7 mmmp? -74.74 136.07 41.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.588 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 55.9 t-80 -43.55 -51.24 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.7 m -49.01 -22.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.891 ' CB ' HD11 ' A' ' 615' ' ' ILE . 8.4 m-20 -104.45 -30.81 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.814 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.675 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.7 -67.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.616 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.77 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.14 -55.55 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.818 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -62.96 -17.37 61.92 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.303 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.836 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.2 mmpt? -67.84 178.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 111.066 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.6 p -153.88 103.0 2.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.399 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 646' ' ' LEU . 33.1 tp -80.4 140.45 36.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.936 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 626' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 2.9 t70 -124.5 97.71 5.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -92.11 96.8 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 53.6 p -111.98 131.35 55.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.444 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.664 HG22 HG22 ' A' ' 580' ' ' VAL . 10.5 t -104.0 127.16 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.188 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.591 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 44.1 m95 -123.22 147.56 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.422 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.82 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.2 OUTLIER -86.25 110.69 19.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.76 ' HE1' HG23 ' A' ' 634' ' ' ILE . 30.0 t80 -61.6 164.05 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.1 OUTLIER -159.31 128.44 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.76 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.55 141.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.7 -3.83 54.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -167.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 0.1 OUTLIER -80.02 -174.91 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 -166.1 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 631' ' ' ASP . 21.1 m-20 -147.31 144.92 29.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.92 108.5 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.82 HD11 ' HB2' ' A' ' 631' ' ' ASP . 67.3 mt -87.39 -39.98 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.59 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.35 165.4 12.89 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -170.13 -160.21 17.9 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.581 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.61 154.28 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.49 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 5.9 mt-30 -97.73 157.2 16.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 627' ' ' ILE . 26.1 mt -143.69 93.55 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.244 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.44 141.56 11.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.106 -0.568 . . . . 0.0 111.744 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.856 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.0 OUTLIER -57.2 -13.79 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.149 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 2.9 t -88.03 15.63 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 109.962 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.533 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -94.61 -161.39 0.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.355 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -154.29 138.87 16.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.576 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' GLY . . . . . 0.464 ' O ' ' HG3' ' A' ' 656' ' ' LYS . . . 96.21 -110.17 3.98 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.392 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.46 -44.68 7.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.318 . . . . 0.0 111.047 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.533 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER -43.49 -27.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.641 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.0 tp -90.28 -52.3 5.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 11.4 mttm -48.86 -62.69 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.259 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.613 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 5.6 t-80 -54.2 -56.36 19.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 0.0 110.586 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -60.4 -78.43 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.189 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.823 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -42.29 -64.93 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.393 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.579 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -44.33 -30.57 0.85 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.092 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 8.0 t -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.77 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -58.45 -25.55 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.23 178.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -44.04 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.076 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 1.9 m-20 -100.58 39.38 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.588 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -37.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.2 -22.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 549' ' ' MET . 17.8 mmtm -94.69 142.48 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 0.0 110.77 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.457 ' HE3' ' HB3' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -79.57 137.43 37.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 111.126 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.587 HG22 ' CD2' ' A' ' 657' ' ' HIS . 0.8 OUTLIER -123.78 114.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.478 179.748 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.2 OUTLIER -120.51 150.01 41.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 111.608 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.613 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -172.11 145.63 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.919 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.917 ' CE2' HD13 ' A' ' 545' ' ' LEU . 92.1 m95 -81.33 131.36 35.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.406 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.647 ' NE2' HD11 ' A' ' 646' ' ' LEU . 78.7 m-70 -110.84 130.48 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.36 107.68 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 642' ' ' GLY . 90.0 mt -49.93 129.32 20.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.182 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -117.79 164.9 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -102.91 112.93 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -85.16 -73.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -140.28 165.99 25.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.482 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 112.42 173.3 19.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.807 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 674' ' ' GLN . 6.6 mtmm -132.74 139.94 47.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.656 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -117.74 127.8 75.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.994 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.3 tp -80.27 131.11 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.562 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 50.7 t -130.46 135.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.533 ' HB3' HD11 ' A' ' 562' ' ' ILE . 26.3 p -115.48 111.15 20.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.397 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 658' ' ' TRP . 16.1 mt -91.45 164.22 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.936 0.398 . . . . 0.0 111.43 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 558' ' ' ILE . 0.8 OUTLIER 175.38 138.16 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.034 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.715 ' HB3' ' HZ2' ' A' ' 665' ' ' LYS . 46.1 t80 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 111.223 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.28 82.55 2.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.0 OUTLIER -50.38 -33.2 19.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.311 0.577 . . . . 0.0 109.843 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -56.38 -48.15 77.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.687 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 612' ' ' PHE . 21.4 mt-30 -83.49 -16.25 46.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.933 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.57 40.36 54.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.446 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.68 166.8 32.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.61 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.538 ' HA ' ' CD1' ' A' ' 550' ' ' TYR . 12.5 tp -92.77 159.27 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.856 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -128.01 123.77 61.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.002 0.429 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.797 HG11 HD22 ' A' ' 582' ' ' LEU . 4.9 t -112.85 119.41 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -109.87 122.24 6.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.597 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.024 HD11 HD21 ' A' ' 582' ' ' LEU . 33.4 mm -102.57 97.71 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.949 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.8 mp -73.81 -75.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.494 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.4 OUTLIER -159.55 172.41 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 111.92 -179.088 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 567' ' ' LEU . 2.3 p -128.69 159.64 34.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.042 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 34.1 m -142.17 145.53 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.518 . . . . 0.0 112.348 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.68 56.34 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.318 179.541 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.935 ' O ' HD13 ' A' ' 603' ' ' LEU . 47.1 mt -88.93 151.13 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.38 155.11 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.41 118.2 36.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.495 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -85.9 -21.07 28.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.94 162.92 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.2 -5.21 48.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -11.09 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.746 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.81 6.44 59.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.569 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -120.93 -168.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.785 0.326 . . . . 0.0 111.747 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.525 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.5 OUTLIER -158.2 175.94 13.12 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.063 0.458 . . . . 0.0 111.639 -179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 6.2 m-20 -119.98 58.07 5.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.649 ' HB3' HD12 ' A' ' 641' ' ' ILE . 37.4 Cg_endo -67.27 146.05 74.27 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 123.489 2.793 . . . . 0.0 115.473 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.566 ' CE2' ' HD2' ' A' ' 581' ' ' LYS . 16.1 p90 -145.4 159.93 42.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.804 -1.544 . . . . 0.0 107.756 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.577 ' O ' HG23 ' A' ' 596' ' ' THR . 25.6 t -109.3 133.1 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.871 -0.731 . . . . 0.0 111.958 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -118.23 130.74 56.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.171 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.024 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -120.68 142.07 49.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.537 -178.808 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.56 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.7 t90 -148.69 113.49 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.186 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 623' ' ' LYS . 12.0 tp -90.59 137.44 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.791 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.557 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -143.39 165.89 22.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.794 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.547 ' HA ' ' HB2' ' A' ' 585' ' ' LYS . 38.4 Cg_exo -60.98 -13.38 2.83 Favored 'Cis proline' 0 C--N 1.35 0.649 0 C-N-CA 123.821 -1.325 . . . . 0.0 112.343 0.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.557 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 0.1 OUTLIER 54.59 -160.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.723 179.041 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 588' ' ' MET . . . . . 0.447 ' HE3' ' HA ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -110.11 -4.43 15.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.857 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -166.39 -176.49 37.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.465 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -95.62 -14.06 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -84.54 11.93 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.524 ' CB ' ' OD2' ' A' ' 587' ' ' ASP . . . -66.17 -8.24 22.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.382 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 24.3 mttt -70.41 158.15 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.615 ' HB2' HD12 ' A' ' 582' ' ' LEU . 16.3 m-70 -143.24 173.31 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.478 ' HG3' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -155.99 114.64 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.22 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.1 p -73.16 164.84 26.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.246 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.529 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 7.3 pt20 -43.93 139.6 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.569 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -80.87 122.95 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.714 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -100.82 80.31 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.272 0.558 . . . . 0.0 109.939 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.621 ' HE2' HD12 ' A' ' 634' ' ' ILE . 13.6 mmtm -50.62 152.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.123 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.434 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.8 mmmt 32.04 77.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.357 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.777 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.5 t -178.99 141.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.935 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.2 mt -116.82 -11.98 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.526 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 21.1 m-80 -129.71 49.33 4.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.777 ' HB3' HG21 ' A' ' 602' ' ' THR . 98.2 Cg_endo -79.48 -178.7 4.78 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 123.013 2.475 . . . . 0.0 113.11 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.494 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.4 tm-20 -132.62 117.02 17.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.322 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 580' ' ' VAL . 55.4 m-85 -85.2 -57.63 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.309 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 561' ' ' ILE . 16.9 t-20 53.2 49.46 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.073 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.443 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 6.6 mm-40 -108.11 132.64 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.251 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -106.45 112.78 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.565 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 41.3 m-85 -93.33 172.75 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.856 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.0 t80 -144.55 123.59 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.294 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.582 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 8.3 m-85 -105.73 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.76 63.49 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.862 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -127.47 138.76 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.671 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.21 131.88 44.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.244 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.624 ' CD2' ' HE2' ' A' ' 665' ' ' LYS . 57.1 t-80 -43.81 -46.01 7.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -25.17 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.862 ' CB ' HD11 ' A' ' 615' ' ' ILE . 1.2 m-20 -100.57 -29.37 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.634 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.88 -68.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.812 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.831 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.78 -53.88 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.075 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.0 67.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.496 -179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.3 mmpt? -62.37 167.39 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.44 102.23 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.39 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.492 HD21 ' CG1' ' A' ' 559' ' ' VAL . 48.8 tp -79.85 122.75 27.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.136 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -106.85 97.85 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.685 ' CD1' HD12 ' A' ' 646' ' ' LEU . 3.1 mp -91.13 103.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.493 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 31.0 m -118.29 133.23 56.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.113 0.482 . . . . 0.0 111.804 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.634 ' CG2' HD21 ' A' ' 675' ' ' LEU . 6.9 t -101.11 126.38 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.088 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.659 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 37.4 m95 -124.52 148.21 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.565 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.614 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -85.69 116.96 24.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.731 ' HE1' HG23 ' A' ' 634' ' ' ILE . 50.7 t80 -66.69 167.78 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.502 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.624 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 3.2 m-20 -159.04 123.13 3.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.602 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.731 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.17 128.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.21 -6.04 57.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.586 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -137.51 -173.76 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -82.8 159.59 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.458 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 66.0 m-20 -78.71 -177.38 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.49 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 40.4 m-20 -139.81 150.37 44.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.659 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.81 114.15 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' A' ' 578' ' ' PRO . 11.3 mt -90.8 -39.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.867 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.663 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.82 160.1 9.32 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.331 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -160.2 -169.25 23.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.825 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.96 148.08 16.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.345 . . . . 0.0 110.586 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 56.2 mt-30 -96.03 147.3 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.888 HD11 ' NE2' ' A' ' 673' ' ' HIS . 22.0 mt -135.33 88.9 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -133.45 145.07 17.14 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.882 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -60.13 -13.14 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 116.983 0.391 . . . . 0.0 111.573 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -86.38 13.27 8.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.15 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 651' ' ' LYS . . . -93.88 173.22 7.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.319 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 650' ' ' ALA . 1.3 mttt -148.1 132.07 17.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.695 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' GLY . . . . . 0.473 ' O ' ' HE2' ' A' ' 656' ' ' LYS . . . 122.8 -58.16 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.71 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -158.84 -48.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 111.031 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.509 ' HB3' HD23 ' A' ' 646' ' ' LEU . 2.7 mtt-85 -41.88 -28.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 648' ' ' ILE . 18.4 tp -80.34 -48.81 12.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.473 ' HE2' ' O ' ' A' ' 652' ' ' GLY . 13.2 mttm -50.22 -45.08 53.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.036 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.528 ' ND1' ' HB2' ' A' ' 671' ' ' ARG . 19.9 t-160 -74.68 -67.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.975 0.417 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 42.6 t-105 -43.31 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.766 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.882 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -40.04 -54.24 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.474 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.777 ' HB3' HD12 ' A' ' 669' ' ' ILE . 7.3 mm-40 -37.41 -46.13 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.525 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.521 ' O ' ' NZ ' ' A' ' 665' ' ' LYS . 34.6 t -50.2 -40.45 47.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.307 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.831 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -64.96 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.969 179.598 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.477 ' HD2' ' OE2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -78.32 -39.19 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.302 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -116.86 102.61 9.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.288 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.715 ' HZ2' ' HB3' ' A' ' 550' ' ' TYR . 0.0 OUTLIER -89.01 -72.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.588 -179.697 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -39.36 -28.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.4 mtmt -105.1 146.55 28.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -98.34 162.93 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.37 -179.563 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -123.39 114.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.202 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.491 ' HG3' ' HB3' ' A' ' 547' ' ' SER . 0.0 OUTLIER -103.94 131.23 51.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.935 0.398 . . . . 0.0 111.167 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.528 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 2.2 mmt-85 -154.09 162.8 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.502 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.994 ' NE1' HD13 ' A' ' 545' ' ' LEU . 78.8 m95 -103.75 132.6 49.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.725 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.888 ' NE2' HD11 ' A' ' 646' ' ' LEU . 69.5 m-70 -114.21 129.77 56.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 676' ' ' GLN . 4.1 mt-30 -78.21 102.02 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.1 mt -44.51 129.28 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 674' ' ' GLN . 37.2 mm-40 -120.07 166.57 13.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.629 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -108.75 118.56 37.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' GLU . . . . . 0.576 ' CG ' ' N ' ' A' ' 679' ' ' ASN . 2.8 pt-20 -78.94 -55.21 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 679' ' ' ASN . . . . . 0.576 ' N ' ' CG ' ' A' ' 678' ' ' GLU . 1.5 t-20 -92.67 144.67 25.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.987 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.905 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.474 ' HD3' ' OD1' ' A' ' 677' ' ' ASN . 21.9 mtm180 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.567 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . -118.42 -166.53 13.7 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.709 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 7.6 mtmt -130.53 137.75 49.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -114.02 126.84 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 111.409 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.907 HD13 ' CE2' ' A' ' 672' ' ' TRP . 14.0 tp -79.28 116.58 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.759 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 627' ' ' ILE . 42.7 t -119.49 135.97 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.522 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 30.3 t -115.71 144.13 44.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.672 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.533 ' CD1' ' HA ' ' A' ' 658' ' ' TRP . 15.4 mt -117.35 162.08 18.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 111.174 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.535 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.9 OUTLIER 176.45 114.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.493 ' HB3' ' HG3' ' A' ' 665' ' ' LYS . 47.1 t80 -95.51 132.52 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 111.151 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.81 79.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.3 p -45.69 -41.25 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -47.01 60.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.201 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.24 -19.03 37.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.5 38.75 32.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.43 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.96 170.45 34.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.633 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 7.0 tp -94.57 155.12 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 0.0 110.627 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.845 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.6 mm -123.77 119.56 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.889 0.376 . . . . 0.0 110.714 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.649 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.8 t -106.33 121.05 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.39 111.42 3.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.325 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.002 HD11 ' CD2' ' A' ' 582' ' ' LEU . 49.3 mm -88.67 102.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.622 HD13 ' CD2' ' A' ' 545' ' ' LEU . 1.6 mt -78.94 -76.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 606' ' ' GLU . 1.9 ptm180 -158.35 173.5 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.04 0.448 . . . . 0.0 111.76 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.6 p -130.44 159.9 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.042 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.06 150.97 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.404 0.621 . . . . 0.0 112.534 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.527 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.509 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.761 ' O ' HD13 ' A' ' 603' ' ' LEU . 33.1 mt -83.72 155.1 23.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.868 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.557 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -75.54 166.39 23.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.508 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -108.27 120.8 43.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.544 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -90.88 -17.74 25.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.199 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -103.65 164.12 11.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.023 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.18 -3.63 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.193 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 -11.06 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.508 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 91.73 11.56 60.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.294 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.705 ' HA ' HD21 ' A' ' 603' ' ' LEU . 2.9 m-85 -125.19 -169.21 1.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 111.814 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 17.2 m -153.99 177.75 10.7 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.23 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 578' ' ' PRO . 2.1 m-20 -127.94 55.29 15.83 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.525 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 38.9 Cg_endo -68.17 143.47 59.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.569 2.846 . . . . 0.0 115.406 -177.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 22.4 p90 -138.6 161.68 36.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 113.974 -1.466 . . . . 0.0 107.425 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 629' ' ' VAL . 48.8 t -111.76 132.72 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.764 -0.775 . . . . 0.0 112.785 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 9.5 mttm -117.14 131.61 56.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.562 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.002 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.12 143.98 47.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.034 0.445 . . . . 0.0 111.748 -178.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.578 ' CE3' ' HE3' ' A' ' 585' ' ' LYS . 4.3 t90 -151.65 114.63 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.176 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.592 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.7 tp -90.03 111.39 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.223 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.578 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 0.6 OUTLIER -100.36 179.98 0.93 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.56 -179.285 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.581 ' O ' ' CB ' ' A' ' 587' ' ' ASP . 10.0 Cg_endo -53.02 -51.75 0.14 OUTLIER 'Cis proline' 0 C--N 1.347 0.492 0 C-N-CA 123.483 -1.465 . . . . 0.0 112.302 -0.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.581 ' CB ' ' O ' ' A' ' 586' ' ' PRO . 1.4 t70 149.54 137.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.054 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 588' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 614' ' ' ASP . 3.4 ptp -112.71 -26.11 8.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.199 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.463 ' O ' ' OD2' ' A' ' 587' ' ' ASP . . . -138.44 -134.45 3.2 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.046 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -135.35 6.95 3.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 0.0 110.546 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -114.1 9.92 17.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -58.12 -24.73 59.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.467 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 2.5 mttt -77.89 165.56 23.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 8.8 m-70 -160.3 172.08 17.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.12 0.486 . . . . 0.0 111.703 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.25 120.57 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.057 179.464 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.686 HG21 HG21 ' A' ' 561' ' ' ILE . 5.7 p -78.54 172.49 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.064 0.459 . . . . 0.0 111.263 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -51.17 151.9 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.55 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -83.73 129.38 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.397 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 602' ' ' THR . 3.3 mmpt? -98.88 74.85 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.08 0.467 . . . . 0.0 110.143 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.58 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 18.5 mmtm -51.65 140.63 18.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.285 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.513 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 34.27 82.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.823 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.861 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.1 t 178.09 139.15 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.9 mt -109.52 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.408 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -136.56 54.03 8.48 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.861 ' HB3' HG21 ' A' ' 602' ' ' THR . 87.6 Cg_endo -79.16 -170.46 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.813 2.342 . . . . 0.0 113.145 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 563' ' ' ARG . 1.2 tt0 -134.0 122.37 22.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.348 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.611 ' CE2' HG23 ' A' ' 580' ' ' VAL . 63.4 m-85 -88.84 -59.14 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.267 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.7 t-20 54.98 49.2 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.445 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.0 OUTLIER -109.13 136.62 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -109.1 111.92 23.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.71 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 35.9 m-85 -95.84 174.03 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.126 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.845 ' HD1' HD13 ' A' ' 558' ' ' ILE . 6.1 t80 -146.55 127.33 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.528 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.649 ' CE1' HG21 ' A' ' 559' ' ' VAL . 8.7 m-85 -107.81 156.55 19.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.432 ' O ' ' SD ' ' A' ' 588' ' ' MET . 0.9 OUTLIER -112.38 60.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.894 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -124.41 145.5 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 615' ' ' ILE . 5.1 mmtt -75.67 130.94 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.53 ' NE2' ' HD2' ' A' ' 665' ' ' LYS . 47.9 t-80 -43.57 -45.92 6.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -20.12 56.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.894 ' CB ' HD11 ' A' ' 615' ' ' ILE . 32.0 m-20 -99.57 -28.56 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.609 HD23 HG12 ' A' ' 615' ' ' ILE . 0.2 OUTLIER -34.52 -66.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.756 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -40.8 -48.04 2.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.641 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.61 63.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.098 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.775 ' HE3' HD13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -73.0 -176.48 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.4 p -159.83 104.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.048 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 21.3 tp -79.44 149.53 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.95 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 2.5 t70 -132.56 96.77 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.614 HG21 HG21 ' A' ' 546' ' ' VAL . 2.7 mp -92.19 98.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.525 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 28.6 m -113.76 129.94 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.638 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 580' ' ' VAL . 14.6 t -98.88 120.86 48.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.289 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 39.6 m95 -118.07 149.03 41.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.876 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.4 OUTLIER -87.55 138.01 31.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.321 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 23.0 t80 -90.44 164.44 14.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.201 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -157.96 131.79 7.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.532 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.06 124.9 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.046 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.44 -9.35 67.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.31 -169.08 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 638' ' ' ASN . 15.6 p -97.8 144.02 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 637' ' ' SER . 1.1 p30 -52.69 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 630' ' ' TRP . 1.7 m-20 -149.95 156.68 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.69 118.35 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.876 HD11 ' HB2' ' A' ' 631' ' ' ASP . 76.4 mt -97.49 -44.95 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.639 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 160.82 159.29 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.43 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.89 -163.05 19.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.787 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.16 166.21 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.307 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -112.92 134.67 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.855 HD11 ' NE2' ' A' ' 673' ' ' HIS . 8.5 mt -117.81 98.7 6.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.314 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.51 144.51 14.53 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.534 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.922 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -58.54 -13.77 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 120.87 0.367 . . . . 0.0 111.642 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.9 t -85.48 12.12 9.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.151 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -91.01 178.14 6.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.167 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER -154.55 132.17 11.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.67 179.648 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 652' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' ' 653' ' ' GLU . . . 127.89 -68.85 0.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.812 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 652' ' ' GLY . 19.5 mt-10 -150.66 -37.98 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.546 0.212 . . . . 0.0 111.567 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.524 ' HB3' HD23 ' A' ' 646' ' ' LEU . 3.6 mtm180 -53.71 -42.83 68.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.722 0.296 . . . . 0.0 111.11 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.4 tp -56.58 -45.14 81.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.935 0.397 . . . . 0.0 110.49 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 65.0 mttm -58.01 -42.67 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.721 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.527 ' ND1' ' HG2' ' A' ' 671' ' ' ARG . 9.0 t-160 -72.06 -65.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.487 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.0 t-105 -48.59 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.922 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.4 OUTLIER -33.68 -53.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.376 179.493 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.917 ' HB3' HD12 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -38.09 -47.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.074 0.464 . . . . 0.0 110.444 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 22.8 t -45.84 -39.36 8.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.756 HD21 ' H ' ' A' ' 621' ' ' ALA . 2.1 mp -68.12 -28.41 67.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.641 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 660' ' ' GLU . 1.9 mtpt -86.9 -44.49 11.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.469 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -108.07 56.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.633 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.53 ' HD2' ' NE2' ' A' ' 617' ' ' HIS . 2.2 mppt? -42.77 -89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.94 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.549 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.6 mmtp -80.01 161.01 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -101.54 142.0 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.917 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.2 mm -124.53 93.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.191 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 17.1 pm0 -108.71 141.9 40.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.127 0.489 . . . . 0.0 111.563 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.579 ' HD2' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -166.18 162.23 17.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.675 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.907 ' CE2' HD13 ' A' ' 545' ' ' LEU . 95.5 m95 -90.91 130.56 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.002 0.43 . . . . 0.0 111.657 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.855 ' NE2' HD11 ' A' ' 646' ' ' LEU . 52.9 m-70 -111.68 131.42 55.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.651 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -77.59 113.17 15.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.587 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 642' ' ' GLY . 82.1 mt -53.65 129.26 32.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.508 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 643' ' ' GLY . 0.9 OUTLIER -123.04 163.32 20.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.539 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 677' ' ' ASN . . . . . 0.474 ' OD1' ' HD3' ' A' ' 541' ' ' ARG . 2.3 m120 -95.39 123.54 38.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.77 -45.49 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -115.45 -87.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.676 0.274 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 117.68 166.56 13.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.688 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 131.0 53.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -109.39 129.33 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 111.454 -179.708 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.825 HD13 ' CE2' ' A' ' 672' ' ' TRP . 16.7 tp -79.92 115.29 19.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.642 HG21 HG21 ' A' ' 627' ' ' ILE . 37.5 t -117.88 135.3 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.0 OUTLIER -111.04 142.45 43.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.7 mt -120.12 156.67 30.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.429 . . . . 0.0 111.213 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 558' ' ' ILE . 4.8 tmm? 177.6 127.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.133 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.2 t80 -106.56 132.72 52.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.044 0.45 . . . . 0.0 111.302 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 79.8 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.827 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.446 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.3 p -45.76 -41.2 10.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 110.188 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -45.9 55.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.224 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -85.75 -19.22 31.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.713 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.18 38.97 33.16 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.497 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.96 167.66 32.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.571 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.6 tp -94.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.87 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.1 mm -125.35 120.0 56.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.799 HG11 HD22 ' A' ' 582' ' ' LEU . 2.2 t -106.87 120.48 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -106.59 108.51 2.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.601 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 0.925 HD11 ' CD2' ' A' ' 582' ' ' LEU . 28.2 mm -86.88 96.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.697 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mt -75.72 -77.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -157.73 170.18 22.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 111.773 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.0 OUTLIER -126.17 160.47 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.333 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.0 m -142.98 146.13 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 112.173 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.517 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 54.12 58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.386 179.441 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.994 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.2 mt -90.5 152.21 21.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.38 45.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.495 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -107.43 118.26 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.503 ' N ' ' OG ' ' A' ' 576' ' ' SER . 10.1 mmt -87.9 -21.81 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.04 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -10.81 58.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.785 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.64 8.36 59.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -120.37 -168.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.557 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.669 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.5 OUTLIER -160.79 170.28 21.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.067 0.461 . . . . 0.0 111.583 -179.566 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.534 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 5.2 m-20 -117.07 59.73 2.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.707 ' HB3' HD12 ' A' ' 641' ' ' ILE . 36.5 Cg_endo -67.28 145.5 72.32 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 123.359 2.706 . . . . 0.0 115.28 -177.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.4 p90 -141.83 161.37 38.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.965 -1.47 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.542 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 24.3 t -113.42 132.71 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.39 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.493 ' HG2' ' HB2' ' A' ' 595' ' ' LYS . 0.8 OUTLIER -115.34 134.6 54.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.711 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.925 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.2 OUTLIER -122.62 137.99 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.939 0.4 . . . . 0.0 111.559 -179.278 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.583 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.0 t90 -145.96 117.69 8.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.966 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 623' ' ' LYS . 15.4 tp -94.72 113.45 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.717 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.522 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -99.04 166.44 13.03 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.942 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.548 ' HD2' ' NZ ' ' A' ' 623' ' ' LYS . 6.1 Cg_exo -79.35 107.93 1.13 Allowed 'Cis proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.602 -1.416 . . . . 0.0 111.825 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 586' ' ' PRO . 7.3 p-10 -6.59 105.45 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.526 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -34.13 30.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.752 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -128.93 -4.88 5.02 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.616 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.3 OUTLIER 87.7 -31.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.766 0.317 . . . . 0.0 111.055 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -83.98 10.27 10.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.714 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.425 ' HB3' ' CD1' ' A' ' 583' ' ' TRP . . . -55.1 -23.65 21.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.583 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.4 mmtp -61.83 150.02 38.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 4.7 m-70 -147.6 172.73 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.394 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.493 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.1 OUTLIER -159.67 132.87 6.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.246 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.861 HG21 HG21 ' A' ' 561' ' ' ILE . 33.9 p -89.72 167.37 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.98 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -51.81 139.19 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.742 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.9 mm -77.96 119.97 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.608 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.628 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.66 83.9 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.466 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.599 ' HE2' HD12 ' A' ' 634' ' ' ILE . 1.3 mmtm -63.64 152.34 39.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.098 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 602' ' ' THR . 1.7 mmtm 44.65 66.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.886 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.785 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.3 t -178.16 144.13 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 111.131 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.994 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.4 mt -118.65 -11.53 9.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 1.1 m-80 -129.99 47.25 2.71 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.456 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.785 ' HB3' HG21 ' A' ' 602' ' ' THR . 72.6 Cg_endo -76.23 -175.78 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.961 2.441 . . . . 0.0 113.002 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.6 tt0 -132.41 116.95 17.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.542 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 64.3 m-85 -82.59 -56.84 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.1 OUTLIER 52.15 47.45 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 -179.486 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 561' ' ' ILE . 0.8 OUTLIER -108.91 130.09 55.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.352 -179.401 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.51 108.41 19.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.538 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 19.3 m-85 -90.32 174.06 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.935 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.87 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.9 t80 -146.87 128.15 14.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.606 ' HE1' HG21 ' A' ' 559' ' ' VAL . 8.9 m-85 -107.65 153.9 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.002 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -108.54 62.5 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.111 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.893 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -128.32 145.56 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.653 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.438 ' N ' HG13 ' A' ' 615' ' ' ILE . 2.6 mptt -76.9 131.64 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.584 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 51.8 t-80 -41.67 -51.23 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -17.27 3.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.37 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.893 ' CB ' HD11 ' A' ' 615' ' ' ILE . 84.0 m-20 -105.16 -29.13 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.589 HD23 HG12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.66 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 179.566 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.873 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -33.83 -53.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.103 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -65.01 -26.35 68.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.77 0.319 . . . . 0.0 111.464 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.788 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -56.7 -176.03 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.1 0.476 . . . . 0.0 111.145 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 29.5 p -159.19 103.69 1.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.289 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 627' ' ' ILE . 29.0 tp -79.69 147.81 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.918 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 626' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 12.6 t0 -130.78 93.24 3.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 546' ' ' VAL . 2.2 mp -88.66 102.72 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.499 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 50.4 p -117.85 131.22 56.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.057 0.456 . . . . 0.0 111.777 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 580' ' ' VAL . 10.9 t -102.13 122.17 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.238 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.66 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 42.8 m95 -121.64 150.55 41.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 111.417 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.479 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -83.85 128.15 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.852 179.225 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.742 ' CG ' HG21 ' A' ' 598' ' ' ILE . 30.4 t80 -90.73 159.72 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.298 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.544 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.3 OUTLIER -160.22 127.85 4.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.599 HD12 ' HE2' ' A' ' 600' ' ' LYS . 0.0 OUTLIER -79.64 136.29 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 84.02 -17.41 27.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.95 -173.21 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 60.7 p -79.84 -162.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.89 172.54 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 631' ' ' ASP . 0.9 OUTLIER -130.96 154.39 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.712 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.66 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -94.46 114.45 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' A' ' 578' ' ' PRO . 26.8 mt -92.36 -38.15 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.493 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.29 160.85 9.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -163.94 -161.5 13.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.682 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.76 159.59 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.827 0.346 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -107.8 134.89 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.724 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.533 HD11 ' HE2' ' A' ' 673' ' ' HIS . 8.9 mt -123.51 104.54 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -146.12 146.23 16.08 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.898 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.4 tt -62.9 -10.32 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.003 0.43 . . . . 0.0 111.238 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -88.3 13.55 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -95.04 177.58 5.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.248 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 13.9 mtmt -160.06 131.06 5.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.41 -51.3 0.86 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.669 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 3.8 tt0 -167.35 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.618 0.247 . . . . 0.0 111.591 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.491 ' HB3' HD23 ' A' ' 646' ' ' LEU . 4.1 mtm180 -55.82 -45.59 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.226 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 648' ' ' ILE . 15.7 tp -55.0 -38.0 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 110.647 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.1 OUTLIER -59.51 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.478 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 21.1 t-160 -66.82 -52.38 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.939 0.4 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 60.6 t-105 -61.94 -61.97 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.885 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.668 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -59.6 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.264 -178.807 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.567 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.5 pt-20 -42.78 -33.34 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 1.6 t -62.87 -41.58 99.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.873 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -54.64 -37.79 66.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.042 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 1.2 pttt -72.0 -41.05 68.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 33.8 m-20 -103.68 87.88 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.377 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.1 OUTLIER -79.14 -70.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.7 -17.76 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.4 mtmm -94.57 135.92 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -79.9 153.37 29.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.162 0.506 . . . . 0.0 111.473 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -135.78 143.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.271 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 3.3 pm0 -150.5 148.55 28.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 111.555 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.484 ' HG3' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -173.88 149.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.825 ' CE2' HD13 ' A' ' 545' ' ' LEU . 91.4 m95 -79.18 129.13 34.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.287 0.565 . . . . 0.0 111.659 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.623 ' CE1' ' HB ' ' A' ' 546' ' ' VAL . 0.1 OUTLIER -105.75 129.57 53.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.312 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.41 114.03 15.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 642' ' ' GLY . 94.7 mt -58.85 128.84 39.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.467 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.478 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 3.1 mm-40 -117.22 174.19 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.427 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.65 102.21 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' GLU . . . . . 0.427 ' OE1' ' OH ' ' A' ' 640' ' ' TYR . 0.8 OUTLIER -61.05 -82.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.035 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -160.23 111.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.852 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.788 0.328 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.522 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . -96.14 -156.76 31.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.658 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -126.08 138.8 53.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.534 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -118.23 127.46 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.227 0.537 . . . . 0.0 111.991 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.942 ' HG ' HD13 ' A' ' 562' ' ' ILE . 18.7 tp -79.71 113.68 18.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.339 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.618 HG21 HG21 ' A' ' 627' ' ' ILE . 78.7 t -112.12 135.53 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.255 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.1 OUTLIER -110.17 139.61 45.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.42 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.672 ' HG ' ' CE1' ' A' ' 657' ' ' HIS . 16.6 mt -122.49 148.56 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.267 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 5.0 tmm? -173.91 118.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.4 t80 -97.08 131.04 44.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' SER . . . . . 0.478 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -100.7 78.63 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.931 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 552' ' ' THR . 1.3 p -46.31 -41.86 13.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -45.88 52.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.32 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -86.2 -16.87 36.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.35 39.3 36.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.42 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.3 169.3 33.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.634 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.521 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.9 tp -94.6 157.44 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.68 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.831 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.4 mm -127.57 117.59 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.67 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.863 HG11 HD22 ' A' ' 582' ' ' LEU . 2.0 t -104.13 116.81 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 547' ' ' SER . . . -105.88 105.82 2.5 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.403 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.063 HD11 HD21 ' A' ' 582' ' ' LEU . 8.3 mm -85.24 106.19 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.942 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -80.97 -77.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.501 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -156.64 171.24 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 111.71 -179.195 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 7.4 p -130.23 158.36 39.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.23 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.95 154.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.287 0.565 . . . . 0.0 112.387 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.69 41.01 12.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.358 179.346 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.666 ' O ' HD13 ' A' ' 603' ' ' LEU . 13.6 mt -80.85 155.59 26.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.438 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -82.84 165.51 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.361 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.598 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -128.42 109.8 11.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.643 ' HE1' HG12 ' A' ' 641' ' ' ILE . 3.0 mtm -85.64 -25.75 26.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.394 . . . . 0.0 110.811 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.13 151.75 47.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.626 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.49 -5.54 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -84.0 -10.92 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.819 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.59 4.18 64.07 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.353 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.598 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -124.72 -169.63 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 111.992 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.488 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.6 OUTLIER -152.45 178.32 9.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.179 -179.686 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 11.4 m-20 -124.96 58.46 18.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.808 ' HB3' HD12 ' A' ' 641' ' ' ILE . 34.3 Cg_endo -66.53 144.26 72.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 123.399 2.732 . . . . 0.0 115.289 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 630' ' ' TRP . 17.0 p90 -144.35 160.27 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 113.979 -1.464 . . . . 0.0 107.727 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.676 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 21.2 t -110.22 128.9 66.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.194 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.14 130.85 56.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.951 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.063 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.91 133.7 55.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 -179.041 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.552 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.6 t90 -140.68 115.81 9.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.008 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.616 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.2 tp -87.33 105.35 17.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.634 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.436 ' HA ' ' C ' ' A' ' 586' ' ' PRO . 5.7 mtmt -85.33 145.48 42.68 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.963 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 4.4 Cg_exo -75.58 -177.46 20.79 Favored 'Cis proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.639 -1.817 . . . . 0.0 111.809 -0.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.2 104.36 11.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.672 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 588' ' ' MET . . . . . 0.524 ' HE1' ' HB ' ' A' ' 615' ' ' ILE . 51.7 mtm -79.72 -59.15 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.347 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -112.3 2.78 26.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.845 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 1.7 tppt? 87.68 -31.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.783 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -78.13 -0.49 28.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.756 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -46.27 -30.66 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.548 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 17.3 mttt -77.56 163.18 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 11.3 m170 -160.07 173.39 15.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.97 0.414 . . . . 0.0 111.715 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.487 ' HG3' ' HE2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.36 114.7 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.77 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.618 HG22 ' CE1' ' A' ' 611' ' ' PHE . 5.2 p -73.87 176.11 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.384 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -50.05 138.99 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.349 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.553 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.8 119.73 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.581 ' O ' HG22 ' A' ' 602' ' ' THR . 11.7 mmpt? -90.78 72.94 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.597 ' HE2' ' CE1' ' A' ' 632' ' ' TYR . 2.5 mmtp -64.23 142.97 58.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.609 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 49.33 65.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.698 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.817 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.3 t -179.96 147.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.834 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.9 mt -119.07 -12.81 9.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.501 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 12.3 m-80 -130.89 49.73 5.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.817 ' HB3' HG21 ' A' ' 602' ' ' THR . 96.9 Cg_endo -78.53 -173.32 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.071 2.514 . . . . 0.0 113.471 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.8 tt0 -132.76 124.97 29.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.346 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.826 ' HB2' HG22 ' A' ' 561' ' ' ILE . 64.7 m-85 -89.41 -58.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 51.35 48.87 22.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.044 0.449 . . . . 0.0 110.21 -179.45 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.2 mm-40 -108.84 138.2 45.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.052 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 610' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 610' ' ' GLU . 16.6 pt-20 -110.35 110.34 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' A' ' 596' ' ' THR . 40.0 m-85 -93.09 171.0 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.266 0.555 . . . . 0.0 112.316 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.831 ' HD1' HD13 ' A' ' 558' ' ' ILE . 3.6 t80 -143.73 121.93 12.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.413 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.696 ' HE1' HG21 ' A' ' 559' ' ' VAL . 9.6 m-85 -104.7 153.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.728 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 62.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.004 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.864 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -127.88 137.7 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 130.27 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.492 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.9 t-80 -42.43 -45.18 4.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -24.1 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.864 ' CB ' HD11 ' A' ' 615' ' ' ILE . 59.1 m-20 -104.15 -27.63 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.568 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -37.05 -66.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.303 179.641 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.793 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -36.56 -51.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.692 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -24.47 66.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.443 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.749 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.1 mmpt? -62.18 170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.2 p -142.06 103.24 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.344 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.476 ' CD2' HD21 ' A' ' 548' ' ' LEU . 50.6 tp -79.8 116.63 20.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.952 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -106.39 97.81 7.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.618 HG21 HG21 ' A' ' 546' ' ' VAL . 3.4 mp -91.32 100.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 2.2 m -113.36 135.65 53.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.554 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.637 ' CG2' HD21 ' A' ' 675' ' ' LEU . 15.9 t -102.42 124.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.095 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.625 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 54.4 m95 -122.3 146.96 46.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.646 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.57 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -86.12 120.35 27.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.395 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.697 ' HE1' HG23 ' A' ' 634' ' ' ILE . 26.9 t80 -76.09 161.24 29.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.079 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.584 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.12 128.84 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.69 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.697 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.3 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -15.79 58.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.423 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.92 -162.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.52 173.66 10.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.16 -171.6 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.1 m-20 -137.35 156.29 48.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.625 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.08 116.28 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.808 HD12 ' HB3' ' A' ' 578' ' ' PRO . 15.7 mt -95.55 -37.73 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.66 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 149.49 161.0 9.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.418 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.71 -169.77 26.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.787 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 166.3 32.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.817 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.494 ' NE2' ' OE2' ' A' ' 678' ' ' GLU . 6.2 mt-30 -112.48 143.76 43.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.796 HD11 ' NE2' ' A' ' 673' ' ' HIS . 16.7 mt -134.71 88.86 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.05 142.57 13.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.702 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.96 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.6 tt -59.4 -14.06 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 117.041 0.421 . . . . 0.0 111.383 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.0 t -80.22 1.85 26.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -90.63 176.91 6.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 135.4 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 121.13 -88.15 0.42 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.597 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.32 -43.89 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.546 ' HB3' HD23 ' A' ' 646' ' ' LEU . 0.2 OUTLIER -49.62 -40.4 39.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.789 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.96 HD12 ' HA ' ' A' ' 648' ' ' ILE . 12.6 tp -69.96 -48.79 56.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.6 mtmt -45.61 -70.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.139 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.672 ' CE1' ' HG ' ' A' ' 548' ' ' LEU . 0.7 OUTLIER -52.67 -50.61 62.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.77 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 63.8 t-105 -61.6 -75.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.586 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -49.15 -61.77 1.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.813 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.558 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.3 pt-20 -41.82 -32.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.193 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 23.6 t -62.41 -44.76 95.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.793 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -52.44 -28.51 20.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 12.1 pttt -83.87 -46.57 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.877 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.529 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 4.2 m-20 -95.47 38.38 1.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.495 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 550' ' ' TYR . 1.0 OUTLIER -39.35 -71.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.057 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 666' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 667' ' ' LYS . 3.0 p-10 -48.72 -23.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.3 mtpt -94.86 137.39 33.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.515 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.9 OUTLIER -82.65 144.56 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.409 -179.556 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.558 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -123.34 157.27 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -154.68 135.85 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.477 ' HG3' ' HB2' ' A' ' 657' ' ' HIS . 2.6 mmt180 -154.33 166.16 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.342 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.835 ' CE2' HD13 ' A' ' 545' ' ' LEU . 83.8 m95 -103.22 131.6 50.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.692 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.796 ' NE2' HD11 ' A' ' 646' ' ' LEU . 75.3 m-70 -117.93 130.07 56.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.086 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 34.1 mt-30 -77.25 108.84 10.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.185 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.2 mt -49.67 128.78 18.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.375 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 49.3 mt-30 -125.19 159.64 31.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.47 119.68 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' GLU . . . . . 0.494 ' OE2' ' NE2' ' A' ' 645' ' ' GLN . 9.3 mm-40 -89.91 -72.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -153.63 100.74 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 2.4 p80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.885 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.526 ' CD ' ' O ' ' A' ' 641' ' ' ILE . 4.6 mmt85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.724 0.297 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 108.97 170.19 20.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.97 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -127.95 137.83 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.498 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -114.37 128.29 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.438 . . . . 0.0 111.651 -179.568 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.941 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.4 tp -79.51 123.32 27.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.561 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.31 134.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.251 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.582 ' HB3' HD11 ' A' ' 562' ' ' ILE . 54.6 p -116.91 111.86 20.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 55.1 mt -95.41 162.31 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 111.519 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.516 ' SD ' ' CB ' ' A' ' 668' ' ' LYS . 30.3 ttp 175.94 125.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.229 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 59.5 t80 -103.17 130.62 50.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.458 . . . . 0.0 111.322 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.82 76.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.834 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.488 HG22 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -43.01 -38.3 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.4 tp60 -53.78 -54.9 31.68 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.504 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 58.4 mt-30 -75.62 -15.23 60.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.548 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.83 41.45 62.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.65 168.3 33.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.569 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.53 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.2 tp -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.839 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -125.99 119.38 54.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.675 HG11 HD22 ' A' ' 582' ' ' LEU . 2.3 t -105.81 118.17 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.464 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -106.7 110.55 3.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.386 -0.911 . . . . 0.0 113.607 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.054 HD11 HD21 ' A' ' 582' ' ' LEU . 26.6 mm -90.36 99.16 9.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.922 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.6 mp -79.39 -73.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.511 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -159.82 170.84 20.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.256 0.55 . . . . 0.0 112.055 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -127.55 161.84 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.646 178.823 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.59 144.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 112.224 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 60.2 t60 55.29 54.71 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.352 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.927 ' O ' HD13 ' A' ' 603' ' ' LEU . 22.6 mt -84.05 161.83 20.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.056 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 576' ' ' SER . . . -69.81 149.71 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.557 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -112.28 116.25 30.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.341 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 6.4 mmt -79.74 -28.69 40.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -84.24 164.95 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.317 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.26 -5.88 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.041 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.1 -12.29 58.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.515 ' O ' HD11 ' A' ' 603' ' ' LEU . . . 94.43 16.15 44.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.671 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.632 ' C ' HD21 ' A' ' 603' ' ' LEU . 3.2 m-85 -124.16 -172.07 2.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.6 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.2 m -161.97 179.57 7.91 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.541 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 5.5 m-20 -123.5 58.75 14.2 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.451 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.633 ' HG3' HD12 ' A' ' 567' ' ' LEU . 42.7 Cg_endo -69.63 152.05 69.9 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 123.377 2.718 . . . . 0.0 115.499 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.612 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 10.6 p90 -149.17 161.84 41.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.456 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 629' ' ' VAL . 23.6 t -116.35 132.3 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.905 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.8 mttp -114.62 131.12 56.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.762 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.054 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.07 143.94 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.929 0.395 . . . . 0.0 111.549 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.58 ' CE3' ' HE3' ' A' ' 593' ' ' LYS . 5.3 t90 -151.33 118.42 5.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.102 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.607 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.6 tp -90.54 107.73 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.547 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -94.71 159.42 33.49 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.763 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.533 ' HA ' ' HB3' ' A' ' 585' ' ' LYS . 4.4 Cg_exo -77.94 109.82 1.56 Allowed 'Cis proline' 0 N--CA 1.46 -0.485 0 C-N-CA 123.89 -1.296 . . . . 0.0 111.92 -0.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.547 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 1.4 p30 -23.59 128.06 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.929 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -20.39 17.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.31 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -150.85 -138.33 2.83 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.988 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 590' ' ' LYS . 8.1 tptp -123.15 6.72 9.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.824 0.345 . . . . 0.0 110.715 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.97 -2.3 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -62.63 -20.42 64.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.957 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.58 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 14.6 mmtm -80.0 155.91 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.799 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.6 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 10.5 m-70 -158.25 166.2 32.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.118 0.485 . . . . 0.0 111.667 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.39 117.0 2.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.267 179.448 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.885 HG21 HG21 ' A' ' 561' ' ' ILE . 15.1 p -70.18 159.2 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.09 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.519 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 17.3 pt20 -48.02 139.17 8.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.544 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.2 mm -74.32 124.9 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -104.49 83.85 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.195 0.522 . . . . 0.0 109.896 178.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.567 ' HE2' ' CD1' ' A' ' 632' ' ' TYR . 21.7 mmtp -55.91 155.03 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.058 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.481 ' O ' ' HB ' ' A' ' 602' ' ' THR . 6.8 mmmt 32.93 76.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.167 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.803 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.7 t 179.36 139.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.069 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.927 HD13 ' O ' ' A' ' 567' ' ' LEU . 7.5 mt -113.6 -11.25 13.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -131.94 49.72 4.96 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.803 ' HB3' HG21 ' A' ' 602' ' ' THR . 81.7 Cg_endo -78.3 170.88 17.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.911 2.407 . . . . 0.0 113.104 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 2.9 tt0 -121.34 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.473 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.529 ' HB2' HG22 ' A' ' 561' ' ' ILE . 66.8 m-85 -79.63 -52.39 8.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.391 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.2 t-20 50.28 49.14 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 109.961 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 124.76 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.309 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -98.89 108.52 21.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 30.8 m-85 -91.27 171.67 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.839 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.6 t80 -144.73 123.19 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.612 ' HE1' HG21 ' A' ' 559' ' ' VAL . 8.1 m-85 -103.95 152.29 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.725 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.45 57.91 0.65 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.894 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -123.78 145.33 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.725 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.481 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.8 OUTLIER -79.79 137.35 36.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 55.5 t-80 -44.64 -51.24 9.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -17.9 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.239 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.894 ' CB ' HD11 ' A' ' 615' ' ' ILE . 9.1 m-20 -105.58 -29.14 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.721 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.627 HD21 HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.2 -65.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.637 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.786 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.67 -53.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.873 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -63.23 -14.2 46.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 111.182 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.777 ' HD2' HD13 ' A' ' 615' ' ' ILE . 1.3 mmpt? -75.58 179.89 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.276 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.31 104.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.346 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 627' ' ' ILE . 54.8 tp -79.42 114.37 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -97.47 97.35 9.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.528 HD11 HD23 ' A' ' 625' ' ' LEU . 3.6 mp -90.27 106.85 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.73 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 640' ' ' TYR . 88.3 p -117.92 135.95 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 580' ' ' VAL . 21.3 t -108.2 129.4 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.612 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 28.2 m95 -121.55 147.46 45.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.55 ' HB3' ' CG1' ' A' ' 641' ' ' ILE . 0.7 OUTLIER -90.59 120.84 32.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 0.0 109.904 178.809 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 41.8 t80 -73.88 165.02 25.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.185 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.7 m-20 -159.93 119.12 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.48 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -77.63 131.01 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 179.776 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.46 -3.12 55.53 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 -167.63 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.829 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 37.6 m -97.36 155.35 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -80.43 -170.69 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.542 ' CB ' ' OD2' ' A' ' 631' ' ' ASP . 0.2 OUTLIER -160.12 158.54 30.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 628' ' ' SER . 1.1 t80 -89.76 112.53 23.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' A' ' 578' ' ' PRO . 60.3 mt -83.35 -56.98 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.496 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 179.85 156.66 18.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.812 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -168.75 -150.37 6.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.431 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 178.48 172.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.431 ' O ' ' HD3' ' A' ' 654' ' ' ARG . 32.6 mt-30 -109.26 137.32 47.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.764 HD11 ' NE2' ' A' ' 673' ' ' HIS . 9.3 mt -124.77 89.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.53 148.7 20.24 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.865 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.9 OUTLIER -60.86 -11.74 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 111.591 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -88.21 14.26 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.159 0.504 . . . . 0.0 109.785 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -95.44 156.81 16.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.427 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -131.67 130.77 42.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.615 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.82 -70.69 0.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 656' ' ' LYS . 2.0 mt-10 -153.95 -41.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.57 0.224 . . . . 0.0 111.565 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.565 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.6 mtt85 -49.64 -34.43 18.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 648' ' ' ILE . 25.0 tp -62.82 -33.33 74.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.7 mtpp -64.75 -59.3 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.606 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 6.8 t-160 -57.45 -53.28 59.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.193 0.52 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.9 t-105 -60.02 -79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.854 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -39.71 -61.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.949 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.558 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.4 pt-20 -42.92 -33.78 0.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.097 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.705 ' HA ' HD11 ' A' ' 669' ' ' ILE . 31.3 t -58.98 -41.31 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.786 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -59.77 -24.43 64.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.888 178.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -39.2 16.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.901 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.522 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.2 m-20 -106.69 58.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.642 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.545 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.7 OUTLIER -49.98 -82.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.522 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 6.4 mttm -82.88 125.41 31.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.63 118.58 21.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.705 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.7 OUTLIER -92.03 158.68 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.802 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.555 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 4.0 mt-10 -156.07 134.47 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.606 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -165.73 158.34 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.941 ' NE1' HD13 ' A' ' 545' ' ' LEU . 84.2 m95 -97.03 132.28 43.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.764 ' NE2' HD11 ' A' ' 646' ' ' LEU . 88.1 m-70 -110.73 129.59 55.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.762 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.59 104.85 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.375 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.496 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 92.8 mt -53.98 128.71 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.223 0.535 . . . . 0.0 111.443 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.405 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 2.7 mt-30 -120.23 159.48 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.649 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.5 110.89 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' GLU . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 640' ' ' TYR . 2.5 tt0 -91.02 -57.62 2.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -130.88 135.83 48.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.921 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.532 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 110.82 175.54 20.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.655 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -132.75 135.86 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.532 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -112.76 129.44 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -179.638 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.989 ' HG ' HD13 ' A' ' 562' ' ' ILE . 20.5 tp -79.56 114.98 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.215 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.508 HG23 HG23 ' A' ' 544' ' ' ILE . 77.4 t -114.76 130.33 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.841 ' HB2' HD11 ' A' ' 562' ' ' ILE . 0.5 OUTLIER -112.23 136.71 51.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.304 179.317 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.6 mt -118.97 163.13 17.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.503 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.8 tmm? 174.26 125.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 48.5 t80 -105.24 133.9 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 0.0 110.892 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.12 85.34 2.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.484 HG21 ' HD2' ' A' ' 665' ' ' LYS . 1.2 p -49.73 -39.89 38.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.025 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -49.3 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.978 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.02 -17.17 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.426 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.86 41.0 56.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -158.47 163.42 32.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.696 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.1 tp -88.89 157.94 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.649 0.261 . . . . 0.0 110.731 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.824 HD13 ' CD1' ' A' ' 612' ' ' PHE . 0.8 OUTLIER -127.97 120.38 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.029 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.6 t -108.35 122.55 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.67 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -112.18 114.02 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.387 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.052 HD11 ' CD2' ' A' ' 582' ' ' LEU . 35.7 mm -93.45 98.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.989 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.8 mp -73.94 -73.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 3.2 ptm180 -164.04 171.63 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.184 0.516 . . . . 0.0 112.013 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.521 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -124.18 161.5 25.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.948 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 34.4 m -142.7 145.71 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.139 0.495 . . . . 0.0 112.198 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.525 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.1 t-80 49.58 57.67 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.056 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.831 ' O ' HD13 ' A' ' 603' ' ' LEU . 15.3 mt -84.01 162.55 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -74.32 145.59 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.512 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -107.31 113.13 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.491 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 16.5 mmt -83.19 -25.74 31.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.794 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -84.29 154.58 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.75 27.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -80.81 -6.34 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 87.21 9.56 72.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.0 m-85 -123.29 -168.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.823 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.589 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.4 OUTLIER -160.02 178.59 9.55 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.067 0.461 . . . . 0.0 111.473 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.527 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.0 m-20 -121.25 58.37 7.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.592 ' HG3' HD12 ' A' ' 567' ' ' LEU . 32.7 Cg_endo -66.24 143.98 72.94 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.403 2.735 . . . . 0.0 115.504 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 29.3 p90 -146.08 162.03 38.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 113.791 -1.549 . . . . 0.0 107.464 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 629' ' ' VAL . 25.0 t -116.5 129.96 72.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.723 -178.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.554 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.7 OUTLIER -112.74 130.95 55.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.417 178.798 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.052 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -118.99 138.62 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.633 -178.735 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.601 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.9 t90 -147.09 118.02 7.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 623' ' ' LYS . 15.5 tp -92.84 108.95 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.449 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 13.8 mtmt -82.62 157.92 66.48 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.775 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.544 ' HD3' ' NZ ' ' A' ' 623' ' ' LYS . 8.5 Cg_endo -88.83 114.71 2.72 Favored 'Cis proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.804 -1.332 . . . . 0.0 111.866 -0.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 586' ' ' PRO . 4.9 p-10 -21.01 110.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.738 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -92.14 -41.54 10.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.801 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -125.13 -2.2 7.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.29 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER 89.13 -32.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 0.0 110.696 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 591' ' ' LYS . . . . . 0.481 ' N ' ' HG2' ' A' ' 590' ' ' LYS . 0.0 OUTLIER -65.25 -16.28 63.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.093 0.473 . . . . 0.0 110.501 179.41 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -45.28 -24.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.601 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 34.1 mttt -81.5 157.8 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.794 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.649 ' HB2' HD12 ' A' ' 582' ' ' LEU . 16.8 m-70 -157.14 176.62 12.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.109 0.48 . . . . 0.0 111.457 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 125.21 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.101 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.607 HG21 HG21 ' A' ' 561' ' ' ILE . 4.0 p -81.42 160.19 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 111.012 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.98 149.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.615 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.2 mm -87.64 128.01 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.829 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -104.97 63.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 109.893 179.354 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.527 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.0 OUTLIER -50.45 137.81 18.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.108 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.533 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 66.15 62.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.406 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 599' ' ' LYS . 4.3 t 176.93 145.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 567' ' ' LEU . 11.1 mt -115.81 -14.61 11.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.753 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -123.02 43.86 0.83 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.767 ' HB3' HG21 ' A' ' 602' ' ' THR . 55.4 Cg_endo -71.74 173.44 12.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.967 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 74.8 tt0 -121.47 119.54 32.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.379 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.483 ' CD2' HG22 ' A' ' 561' ' ' ILE . 46.7 m-85 -88.6 -58.57 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.407 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.4 OUTLIER 50.22 47.94 22.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 110.103 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.449 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.6 mm-40 -106.15 130.74 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.265 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -105.64 112.02 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.509 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 41.0 m-85 -95.85 174.84 6.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.164 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.824 ' CD1' HD13 ' A' ' 558' ' ' ILE . 5.7 t80 -147.41 125.35 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.163 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.6 m-85 -105.0 157.14 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.816 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.09 64.83 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.869 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -132.23 140.35 47.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.738 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 619' ' ' ASP . 23.7 mmtt -74.63 131.72 41.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.538 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.532 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 42.2 t-80 -42.52 -43.9 3.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.9 -24.79 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.869 ' CB ' HD11 ' A' ' 615' ' ' ILE . 74.3 m-20 -101.81 -29.19 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.648 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -34.85 -66.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.573 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.763 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -36.15 -57.1 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.792 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -20.44 62.84 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.84 0.352 . . . . 0.0 111.286 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.752 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.4 OUTLIER -65.49 172.06 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.765 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.86 104.67 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.189 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.548 HD23 HD11 ' A' ' 627' ' ' ILE . 23.1 tp -79.02 144.08 35.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 626' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 1.8 t70 -129.71 97.37 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.548 HD11 HD23 ' A' ' 625' ' ' LEU . 2.0 mp -92.27 97.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.376 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.495 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 90.7 p -110.3 130.68 55.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.642 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 580' ' ' VAL . 6.8 t -101.67 125.25 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.125 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.637 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 52.2 m95 -122.73 146.78 47.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.549 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.7 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.72 113.06 21.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.113 0.483 . . . . 0.0 110.147 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.761 ' HE1' HG23 ' A' ' 634' ' ' ILE . 38.1 t80 -69.44 164.28 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.496 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.22 125.93 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.761 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.01 133.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.58 -17.97 32.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.376 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -132.26 -165.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.2 OUTLIER -87.14 175.87 7.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -99.06 -176.92 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.783 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.476 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 21.1 m-20 -138.35 154.47 48.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.637 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.45 107.56 19.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 631' ' ' ASP . 71.4 mt -83.18 -38.16 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.606 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 147.84 161.47 9.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.535 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.495 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.4 -171.35 27.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.585 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 644' ' ' CYS . . . . . 0.534 ' SG ' ' CG ' ' A' ' 673' ' ' HIS . 16.4 p -153.31 154.36 34.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.492 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.2 mt-30 -105.85 136.35 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.862 HD11 ' NE2' ' A' ' 673' ' ' HIS . 12.2 mt -125.35 93.71 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.999 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.55 150.12 20.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.841 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.893 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.3 tt -65.56 -9.47 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 121.009 0.433 . . . . 0.0 111.342 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.1 t -91.94 15.07 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.14 0.495 . . . . 0.0 109.814 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -91.88 -171.87 3.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.361 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -146.12 134.93 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.7 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' GLY . . . . . 0.422 ' C ' ' OE2' ' A' ' 653' ' ' GLU . . . 104.77 -102.19 2.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.679 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 652' ' ' GLY . 3.4 mm-40 -108.77 -44.46 4.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.492 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.3 mtt-85 -42.22 -27.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.763 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.893 HD12 ' HA ' ' A' ' 648' ' ' ILE . 24.4 tp -86.33 -45.83 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 3.2 pttp -57.08 -57.36 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.585 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 19.0 t-160 -57.58 -55.03 40.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 44.6 t-105 -61.47 -64.71 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.158 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.66 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -53.58 -62.35 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.788 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -42.96 -29.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.063 -179.274 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.512 ' HA ' HD11 ' A' ' 669' ' ' ILE . 12.4 t -62.18 -45.22 94.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.763 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -55.61 -30.23 60.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.811 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.457 ' HG3' ' HA ' ' A' ' 660' ' ' GLU . 7.1 mtpt -79.94 -46.97 15.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.367 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.472 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.2 m-20 -99.05 42.69 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.666 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.532 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -42.32 -69.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.623 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -21.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.127 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.8 mmtm -94.53 138.1 32.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.499 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -86.22 132.0 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.474 -179.645 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.512 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.4 OUTLIER -113.21 149.7 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.352 179.447 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 670' ' ' GLU . 0.8 OUTLIER -152.18 148.83 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.233 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.536 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.68 166.32 8.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.878 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.855 ' NE1' HD13 ' A' ' 545' ' ' LEU . 92.3 m95 -98.98 131.12 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.862 ' NE2' HD11 ' A' ' 646' ' ' LEU . 79.2 m-70 -110.02 131.38 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 674' ' ' GLN . 0.9 OUTLIER -77.67 103.05 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 642' ' ' GLY . 86.3 mt -48.08 130.64 15.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.36 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -124.63 166.27 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.69 122.4 43.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.788 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -98.17 -79.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -90.19 -166.32 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.999 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.863 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 6.0 mtt85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.666 0.269 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 143.99 169.52 12.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.579 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -126.4 140.81 52.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.0 110.399 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.504 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -120.56 128.67 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.98 0.419 . . . . 0.0 111.79 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.957 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.9 tp -79.87 124.18 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.328 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.546 HG21 HG21 ' A' ' 627' ' ' ILE . 56.0 t -126.58 137.64 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.57 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.641 ' HB3' HD11 ' A' ' 562' ' ' ILE . 27.3 p -119.07 121.92 40.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.14 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 658' ' ' TRP . 13.2 mt -101.84 163.36 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 111.625 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.514 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.5 ttp 175.39 128.62 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.614 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.526 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 58.4 t80 -108.17 131.51 54.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.25 82.81 2.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.408 HG21 ' HD3' ' A' ' 665' ' ' LYS . 1.2 p -47.3 -36.63 9.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 553' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 0.0 OUTLIER -54.55 -57.05 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.375 179.315 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 554' ' ' GLN . . . . . 0.504 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 4.4 mm-40 -73.09 -15.82 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.423 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.5 41.88 65.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.526 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.91 171.15 33.79 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.572 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.611 HD12 ' H ' ' A' ' 558' ' ' ILE . 10.1 tp -96.14 160.78 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.834 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.1 mm -130.03 121.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.87 HG11 HD22 ' A' ' 582' ' ' LEU . 3.0 t -111.24 122.06 65.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.814 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -112.16 123.29 6.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.43 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.057 HD11 HD21 ' A' ' 582' ' ' LEU . 10.0 mm -103.52 96.46 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 3.0 mp -72.04 -75.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.349 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 2.7 ptm180 -155.85 175.65 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.905 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.595 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.3 p -131.36 160.54 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.51 145.74 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 112.316 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.511 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 55.06 59.41 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.282 179.46 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 1.023 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.0 mt -90.61 146.79 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.58 149.92 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -103.88 116.53 32.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.499 ' HG3' ' HB2' ' A' ' 639' ' ' ASP . 10.0 mmt -82.66 -23.95 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -88.75 158.6 18.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.11 -1.04 18.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -84.05 -12.64 54.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.705 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 96.82 3.2 59.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.24 -169.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 111.885 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.505 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 1.0 OUTLIER -157.46 179.55 9.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.419 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.47 ' HB3' ' HD2' ' A' ' 600' ' ' LYS . 0.7 OUTLIER -126.74 57.67 23.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.194 179.196 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.653 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.1 Cg_endo -66.72 149.26 83.72 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.467 2.778 . . . . 0.0 115.242 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.1 p90 -146.15 160.14 42.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.04 -1.436 . . . . 0.0 107.837 177.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 596' ' ' THR . 17.4 t -111.56 134.77 52.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.035 -0.666 . . . . 0.0 112.63 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 594' ' ' HIS . 6.2 mttm -117.41 141.3 48.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.751 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.057 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.9 132.54 52.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.385 -178.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.574 ' CD1' ' CD ' ' A' ' 585' ' ' LYS . 2.6 t90 -132.4 126.72 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.261 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.597 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 12.2 tp -113.28 114.04 26.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.095 0.474 . . . . 0.0 110.807 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.574 ' CD ' ' CD1' ' A' ' 583' ' ' TRP . 0.0 OUTLIER -90.58 153.56 45.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.976 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 2.9 Cg_exo -76.23 179.26 31.71 Favored 'Cis proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.644 -1.815 . . . . 0.0 111.642 -0.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.82 102.25 10.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.799 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' MET . . . . . 0.463 ' HG2' ' N ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER -86.91 -32.42 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.85 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -133.03 -3.23 3.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.818 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 4.6 tmtt? 87.14 -35.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.659 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -71.98 -5.94 38.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.543 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -37.62 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.655 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 582' ' ' LEU . 0.0 OUTLIER -83.57 154.14 23.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.501 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.812 ' HB2' HD12 ' A' ' 582' ' ' LEU . 15.2 m-70 -146.82 179.54 7.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.258 0.551 . . . . 0.0 112.047 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 120.81 2.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.916 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.742 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.7 p -80.8 174.71 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.212 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 597' ' ' GLN . . . . . 0.49 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 24.1 pt20 -47.68 153.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.659 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.537 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -88.19 128.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.672 ' O ' HG22 ' A' ' 602' ' ' THR . 0.1 OUTLIER -96.72 70.89 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.15 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.47 ' HD2' ' HB3' ' A' ' 577' ' ' ASP . 6.0 mmmm -51.62 146.01 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.078 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.422 ' HG2' ' C ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 31.03 74.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.976 179.311 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.795 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.2 t -177.74 143.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.798 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 1.023 HD13 ' O ' ' A' ' 567' ' ' LEU . 11.9 mt -117.32 -13.12 10.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 56.4 m-80 -130.52 50.61 6.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.564 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.795 ' HB3' HG21 ' A' ' 602' ' ' THR . 91.0 Cg_endo -80.23 -172.67 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.88 2.387 . . . . 0.0 112.906 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.475 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.2 OUTLIER -134.76 117.06 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.368 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 71.9 m-85 -81.49 -58.95 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 562' ' ' ILE . 4.7 t30 54.46 47.07 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.127 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.419 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.7 mm-40 -108.21 134.35 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.218 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -109.98 112.7 24.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.742 ' CE1' HG22 ' A' ' 596' ' ' THR . 47.9 m-85 -94.1 172.55 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.284 0.564 . . . . 0.0 112.22 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.834 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.9 t80 -144.74 121.75 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.121 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.1 155.38 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -110.21 64.16 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.888 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -129.44 146.86 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.795 179.594 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.512 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.7 OUTLIER -78.84 136.19 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.54 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 54.7 t-80 -46.64 -45.51 19.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -22.83 35.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.888 ' CB ' HD11 ' A' ' 615' ' ' ILE . 60.6 m-20 -102.49 -29.44 11.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.296 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.84 -67.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 179.693 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.863 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.82 -57.4 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.178 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -62.3 -19.69 63.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.61 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 615' ' ' ILE . 7.3 mmpt? -65.79 164.78 14.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.935 0.398 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.72 102.35 4.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.581 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 37.6 tp -80.08 129.11 34.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.914 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 626' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 583' ' ' TRP . 34.3 t70 -109.49 94.0 4.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.201 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -86.94 102.42 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.322 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 1.3 m -119.17 143.78 47.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.073 0.464 . . . . 0.0 111.862 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 580' ' ' VAL . 18.4 t -112.33 119.52 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.258 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 49.3 m95 -118.03 146.44 44.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 111.486 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.786 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.35 118.73 24.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.733 ' HE1' HG23 ' A' ' 634' ' ' ILE . 24.1 t80 -69.76 163.84 24.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -157.47 130.93 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.756 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.733 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.69 139.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 635' ' ' GLY . . . . . 0.424 ' C ' ' HG2' ' A' ' 636' ' ' LYS . . . 83.04 -15.47 32.75 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.724 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 636' ' ' LYS . . . . . 0.424 ' HG2' ' C ' ' A' ' 635' ' ' GLY . 0.0 OUTLIER -143.82 -163.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 3.5 m -79.97 -172.3 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.794 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.76 -167.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 1.1 m-20 -139.32 156.86 46.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.616 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -94.56 115.13 27.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' A' ' 631' ' ' ASP . 86.2 mt -95.39 -42.59 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.634 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 156.36 157.84 8.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -155.46 -167.3 16.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.72 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 12.8 p -157.49 142.27 16.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 37.6 mt-30 -93.79 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.889 HD12 HD11 ' A' ' 627' ' ' ILE . 14.5 mt -134.12 90.02 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 0.0 111.523 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.67 135.23 7.7 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.945 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -53.58 -20.73 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 116.981 0.39 . . . . 0.0 111.518 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 17.4 t -73.91 -2.77 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -79.93 -179.85 7.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.364 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -149.45 134.95 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.771 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 119.92 -86.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.71 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 656' ' ' LYS . 0.9 OUTLIER -128.28 -48.28 1.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 111.168 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.584 ' HB3' HD23 ' A' ' 646' ' ' LEU . 0.9 OUTLIER -41.83 -27.86 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 648' ' ' ILE . 21.9 tp -79.55 -42.28 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 68.0 mttm -56.15 -50.68 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.552 ' CD2' ' HB ' ' A' ' 669' ' ' ILE . 13.8 t-160 -69.68 -63.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.524 ' HA ' HD12 ' A' ' 548' ' ' LEU . 47.4 t-105 -47.76 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.801 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.945 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -35.67 -55.09 0.71 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.392 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.766 ' HB3' HD12 ' A' ' 669' ' ' ILE . 6.2 mm-40 -38.19 -45.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.015 0.436 . . . . 0.0 110.531 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 549' ' ' MET . 18.9 t -48.55 -37.16 17.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.375 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.863 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.1 mp -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.933 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.455 ' HG2' ' OE1' ' A' ' 660' ' ' GLU . 2.5 pttt -74.83 -36.36 62.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.393 0.616 . . . . 0.0 109.427 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 667' ' ' LYS . 1.2 m-20 -112.28 66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.6 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.54 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 2.5 mptt -55.4 -75.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -53.11 -18.7 2.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 664' ' ' ASN . 8.0 mttm -96.17 140.61 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -92.98 145.61 24.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.518 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -117.26 108.53 25.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.255 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.519 ' HG2' ' HB3' ' A' ' 547' ' ' SER . 4.6 mt-10 -105.94 140.27 39.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.492 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -172.62 160.36 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.12 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.957 ' NE1' HD13 ' A' ' 545' ' ' LEU . 85.8 m95 -94.15 141.96 27.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.304 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.508 ' NE2' HD11 ' A' ' 646' ' ' LEU . 40.3 m-70 -120.1 131.77 55.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.35 102.15 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 642' ' ' GLY . 82.0 mt -48.93 132.81 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.312 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -123.5 163.06 21.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -99.47 104.31 16.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.947 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -82.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 679' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 680' ' ' HIS . 28.7 t-20 -110.46 157.37 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 680' ' ' HIS . . . . . 0.518 ' N ' ' OD1' ' A' ' 679' ' ' ASN . 54.8 t60 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.703 0.287 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 122.16 179.02 15.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.676 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 8.4 mtmm -140.86 136.21 32.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.643 0.259 . . . . 0.0 110.343 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.634 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -113.68 127.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.721 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.93 ' HG ' HD13 ' A' ' 562' ' ' ILE . 16.9 tp -79.6 123.18 27.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.417 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.02 136.6 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.682 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.9 p -114.84 118.15 32.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.29 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 549' ' ' MET . 9.8 mt -102.47 157.99 16.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.013 0.435 . . . . 0.0 111.393 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.497 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.0 tmm? 175.72 126.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 617' ' ' HIS . 52.1 t80 -105.36 128.97 53.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.868 0.366 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' SER . . . . . 0.457 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -101.14 96.32 7.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.833 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.507 HG22 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -62.64 -36.84 84.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 109.824 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -49.81 -44.13 49.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.791 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -16.23 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.148 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.84 41.35 49.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -152.62 169.18 31.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.562 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.1 tp -93.76 160.13 14.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.714 0.293 . . . . 0.0 110.56 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.825 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -130.08 123.05 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.839 HG11 HD22 ' A' ' 582' ' ' LEU . 11.1 t -113.35 119.63 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.551 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -111.75 115.23 3.81 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.532 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.058 HD11 HD21 ' A' ' 582' ' ' LEU . 42.2 mm -92.61 96.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.93 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.5 mp -71.09 -73.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.16 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 1.5 ptm180 -161.68 175.07 12.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 111.792 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.597 ' SG ' HD11 ' A' ' 567' ' ' LEU . 5.6 p -129.57 159.34 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.903 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.4 m -142.24 145.98 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.192 0.52 . . . . 0.0 112.315 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER 55.12 54.06 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.299 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 1.014 ' O ' HD13 ' A' ' 603' ' ' LEU . 11.7 mt -84.62 146.0 27.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.04 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -65.95 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.327 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.628 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -117.63 110.09 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.978 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.486 ' HE3' ' OG ' ' A' ' 576' ' ' SER . 2.3 mtm -86.12 -25.66 25.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -67.46 150.68 48.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.629 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.58 -6.79 21.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -83.98 -9.34 58.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.506 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 90.85 7.59 66.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.296 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.628 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -125.88 -169.43 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 0.0 111.992 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.537 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.0 OUTLIER -153.5 -179.78 8.08 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.118 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.516 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 3.5 m-20 -125.55 56.83 15.64 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.641 ' HG3' HD12 ' A' ' 567' ' ' LEU . 30.5 Cg_endo -64.55 145.45 87.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.651 2.901 . . . . 0.0 115.733 -177.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 19.1 p90 -146.18 159.47 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.633 177.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.574 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 21.2 t -110.92 131.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.429 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.3 OUTLIER -116.75 130.35 56.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.864 179.204 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.058 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.3 136.52 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.698 -178.527 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.533 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.8 t90 -143.74 118.33 9.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.589 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 15.0 tp -93.99 111.24 22.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER -96.34 161.58 26.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.183 179.536 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.564 ' HA ' ' HB3' ' A' ' 585' ' ' LYS . 3.4 Cg_exo -77.5 108.82 1.24 Allowed 'Cis proline' 0 N--CA 1.46 -0.464 0 C-N-CA 124.14 -1.191 . . . . 0.0 112.18 0.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.542 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 9.0 p-10 -22.31 109.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.946 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 588' ' ' MET . . . . . 0.446 ' HE1' ' HB ' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -91.22 -18.97 23.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.287 179.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.3 -143.07 4.21 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.051 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.32 -3.69 7.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 0.0 110.854 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -106.69 8.62 31.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -62.04 -22.3 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.52 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 14.0 mttt -92.72 159.76 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.772 ' HB2' HD12 ' A' ' 582' ' ' LEU . 30.8 m-70 -154.12 173.73 15.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.051 0.453 . . . . 0.0 111.603 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.503 ' HG3' ' HE2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.99 108.12 1.92 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.078 179.361 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.814 HG21 HG21 ' A' ' 561' ' ' ILE . 10.3 p -63.48 159.81 17.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.953 0.406 . . . . 0.0 111.091 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -42.73 143.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.314 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.522 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.61 120.87 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.113 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 602' ' ' THR . 12.1 mmtt -91.3 77.31 5.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.12 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.473 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 11.8 mmtm -59.31 151.24 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.738 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 600' ' ' LYS . 0.2 OUTLIER 31.98 69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.882 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.787 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.9 t -177.7 144.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.924 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 1.014 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.7 mt -119.67 -12.38 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.563 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.9 m-80 -128.23 45.56 1.73 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.51 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.787 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.3 Cg_endo -74.52 -178.84 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.907 2.405 . . . . 0.0 112.813 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 29.6 tt0 -126.24 118.2 24.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.39 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.659 ' CB ' HG22 ' A' ' 561' ' ' ILE . 67.1 m-85 -83.63 -59.9 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.2 t-20 52.46 45.05 29.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.269 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 15.4 mm-40 -107.15 127.77 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.155 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.95 113.81 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 52.4 m-85 -95.62 173.05 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 112.148 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.825 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.6 t80 -144.02 121.14 11.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.236 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 7.6 m-85 -102.63 153.27 20.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.638 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.97 60.67 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.863 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -124.09 137.42 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.7 132.68 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 550' ' ' TYR . 44.1 t-80 -45.4 -46.03 13.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.458 ' O ' ' HE3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -59.27 -15.57 16.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.254 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.863 ' CB ' HD11 ' A' ' 615' ' ' ILE . 86.0 m-20 -105.3 -28.99 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.578 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.589 HD23 HG12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.19 -66.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.71 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.802 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -42.61 -41.59 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 618' ' ' SER . 0.0 OUTLIER -70.63 -14.08 62.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 111.22 -179.436 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.746 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.3 mmpt? -81.93 -177.0 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.408 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.79 105.04 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.173 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 43.4 tp -79.17 118.42 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 626' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 9.3 t0 -106.62 99.26 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.593 HD11 HD12 ' A' ' 646' ' ' LEU . 2.3 mp -93.31 106.3 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.497 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 59.8 p -117.72 131.74 56.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.5 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.548 ' CG2' HD21 ' A' ' 675' ' ' LEU . 11.9 t -101.31 128.15 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.323 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 53.7 m95 -122.83 141.97 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.926 ' HB2' HD11 ' A' ' 641' ' ' ILE . 1.2 t0 -85.28 106.79 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.423 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.705 ' HE1' HG23 ' A' ' 634' ' ' ILE . 33.7 t80 -57.91 164.21 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.322 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -160.28 126.74 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.705 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.52 136.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -21.85 28.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -170.96 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.2 p -80.06 148.98 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -56.42 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 78.7 m-20 -141.46 150.97 42.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.67 116.96 29.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.813 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.926 HD11 ' HB2' ' A' ' 631' ' ' ASP . 69.4 mt -95.61 -43.36 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.732 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 154.57 161.64 10.64 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.573 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.83 -165.31 18.5 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.638 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.86 156.1 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.49 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 12.6 pt20 -102.09 141.99 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.604 HD21 ' CE1' ' A' ' 673' ' ' HIS . 14.1 mt -129.53 89.97 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.36 143.3 14.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.702 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.882 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.8 OUTLIER -60.13 -12.26 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.882 0.341 . . . . 0.0 111.663 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 34.2 t -87.1 13.04 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 109.984 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -96.04 175.57 6.43 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.25 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -140.8 134.16 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 117.22 -90.15 0.5 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.613 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -125.06 -46.16 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.7 OUTLIER -43.26 -27.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.616 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.5 tp -83.27 -47.95 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 10.9 mttt -51.34 -63.88 0.99 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.512 ' CD2' ' HB2' ' A' ' 671' ' ' ARG . 0.4 OUTLIER -54.36 -53.09 58.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.459 . . . . 0.0 110.809 -179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 58.8 t-105 -60.45 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.784 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.38 -60.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.056 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.56 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.5 pt-20 -42.89 -34.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.064 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 34.0 t -56.69 -41.65 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.802 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -60.63 -25.69 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.936 178.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.38 17.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.812 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.533 ' ND2' ' HD3' ' A' ' 667' ' ' LYS . 5.4 m-20 -106.27 59.32 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.666 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 2.7 mppt? -49.7 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 666' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 3.7 p30 -48.95 -21.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.387 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.533 ' HD3' ' ND2' ' A' ' 664' ' ' ASN . 39.2 mttt -86.21 130.19 34.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.757 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.472 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 0.2 OUTLIER -79.95 153.99 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.47 . . . . 0.0 111.494 -179.529 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.7 OUTLIER -126.78 159.37 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.315 179.362 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.544 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 0.0 OUTLIER -158.81 125.51 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.512 ' HB2' ' CD2' ' A' ' 657' ' ' HIS . 0.6 OUTLIER -153.69 163.78 39.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.518 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.922 ' CE2' HD13 ' A' ' 545' ' ' LEU . 84.9 m95 -102.61 132.35 48.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.68 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.604 ' CE1' HD21 ' A' ' 646' ' ' LEU . 87.1 m-70 -113.91 131.19 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.43 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 1.4 pt20 -79.28 103.33 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.732 HD22 ' O ' ' A' ' 642' ' ' GLY . 80.0 mt -44.41 130.67 6.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.249 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.7 mt-30 -127.5 160.69 30.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.46 134.37 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 679' ' ' ASN . 0.2 OUTLIER -71.46 -55.75 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 679' ' ' ASN . . . . . 0.5 ' N ' ' HG3' ' A' ' 678' ' ' GLU . 0.4 OUTLIER -135.99 -84.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.879 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 2.7 mpt_? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.811 0.339 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.58 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 108.69 175.93 21.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.639 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.83 137.65 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.658 0.266 . . . . 0.0 110.416 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.658 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -114.34 129.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.657 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.994 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.7 tp -79.64 123.73 27.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 89.7 t -121.68 131.46 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.667 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.727 ' HB3' HD11 ' A' ' 562' ' ' ILE . 92.6 p -113.15 121.67 45.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.908 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.518 ' CB ' ' SG ' ' A' ' 661' ' ' CYS . 4.5 mt -101.68 167.99 9.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.878 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.555 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER 171.44 132.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.322 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 50.7 t80 -111.51 138.72 47.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.106 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.61 97.82 6.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.617 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.54 HG22 ' HD2' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.74 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 0.0 110.15 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -50.02 -43.99 51.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.109 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -92.28 -19.12 22.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.39 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.56 39.72 29.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.493 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -149.62 169.48 29.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.705 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 558' ' ' ILE . 6.7 tp -95.6 162.08 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.705 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.849 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -130.04 123.48 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.99 0.424 . . . . 0.0 111.035 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.681 HG11 HD22 ' A' ' 582' ' ' LEU . 7.3 t -114.2 119.27 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.828 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.27 117.49 4.72 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.403 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.053 HD11 HD21 ' A' ' 582' ' ' LEU . 49.2 mm -95.35 97.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.901 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.5 mp -71.76 -74.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -159.57 176.45 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 112.02 -178.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.568 ' SG ' HD11 ' A' ' 567' ' ' LEU . 7.4 p -131.36 159.13 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.934 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.87 145.05 23.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 112.277 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 3.8 t60 56.65 59.17 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.877 ' O ' HD13 ' A' ' 603' ' ' LEU . 12.2 mt -90.12 161.53 15.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.53 ' HB3' ' HE1' ' A' ' 570' ' ' MET . . . -80.11 152.09 29.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.613 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -117.86 109.43 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.783 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.53 ' HE1' ' HB3' ' A' ' 568' ' ' ALA . 0.0 OUTLIER -79.06 -31.31 44.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.366 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -67.04 150.09 49.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.78 -5.75 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -82.9 -11.32 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.511 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.84 5.59 59.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.61 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.613 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.53 -169.33 1.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 112.154 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.503 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.6 OUTLIER -157.11 176.27 12.96 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.406 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.482 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 28.9 m-20 -120.41 58.4 6.09 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.658 ' HG3' HD12 ' A' ' 567' ' ' LEU . 30.2 Cg_endo -64.66 136.86 51.69 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 123.518 2.812 . . . . 0.0 115.347 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.623 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 17.5 p90 -135.76 161.13 36.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.832 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.598 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 24.7 t -113.65 138.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.721 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.4 mttp -117.3 148.52 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.626 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.053 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -136.81 132.15 34.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.9 0.381 . . . . 0.0 111.3 -179.465 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.542 ' HB2' ' CG ' ' A' ' 593' ' ' LYS . 4.1 t90 -142.2 118.33 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.188 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.651 HD11 ' CB ' ' A' ' 623' ' ' LYS . 13.9 tp -97.22 109.06 21.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.915 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.535 ' CG ' ' OG ' ' A' ' 624' ' ' SER . 8.3 ptmt -82.93 150.83 62.71 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.215 0.531 . . . . 0.0 111.062 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.426 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 3.2 Cg_exo -75.78 -178.69 24.49 Favored 'Cis proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.638 -1.818 . . . . 0.0 111.656 -0.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.04 111.47 12.65 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.79 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -79.86 -40.44 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -139.55 6.06 2.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.611 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER 87.09 -20.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -90.89 6.22 45.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.753 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -49.22 -29.12 5.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 42.0 mttt -76.6 151.35 36.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.825 ' HB2' HD12 ' A' ' 582' ' ' LEU . 13.1 m-70 -144.93 -178.69 6.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.206 0.526 . . . . 0.0 111.639 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.25 130.66 5.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.156 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 580' ' ' VAL . 4.5 p -90.46 167.34 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -45.05 149.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.709 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.631 HD12 ' CD2' ' A' ' 632' ' ' TYR . 10.5 mm -84.38 125.33 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.51 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 602' ' ' THR . 6.9 mmpt? -92.5 75.14 5.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.546 ' HE3' ' CD1' ' A' ' 634' ' ' ILE . 28.3 mmtm -52.36 143.84 14.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.045 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.423 ' N ' ' OD1' ' A' ' 577' ' ' ASP . 0.0 OUTLIER 32.16 74.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.883 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.814 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.0 t -178.09 145.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.877 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.1 mt -118.86 -12.58 9.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 38.7 m-80 -127.82 46.18 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.814 ' HB3' HG21 ' A' ' 602' ' ' THR . 71.1 Cg_endo -74.66 -178.89 4.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.969 2.446 . . . . 0.0 113.29 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.9 tt0 -127.25 118.15 23.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.401 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.598 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 67.2 m-85 -85.28 -60.75 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.226 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 561' ' ' ILE . 13.0 t-20 53.82 46.47 25.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.029 0.443 . . . . 0.0 110.21 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.473 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.4 OUTLIER -107.39 127.89 53.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.235 -179.543 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.94 114.4 28.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.534 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 44.4 m-85 -95.61 174.45 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.288 0.566 . . . . 0.0 112.039 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.849 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.2 t80 -144.47 119.21 9.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.243 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.572 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.0 m-85 -100.56 151.91 21.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.655 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.45 67.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.217 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.888 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -131.89 142.32 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 619' ' ' ASP . 19.9 mtmt -72.37 129.96 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.586 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 47.0 t-80 -42.73 -47.22 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 618' ' ' SER . . . . . 0.441 ' O ' ' HE2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -54.68 -22.72 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.888 ' CB ' HD11 ' A' ' 615' ' ' ILE . 20.5 m-20 -101.09 -28.83 12.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.626 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.63 -67.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.687 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.817 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.86 -48.68 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.508 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.46 -15.97 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -179.177 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.8 mmpt? -76.72 173.78 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.11 0.481 . . . . 0.0 111.374 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.535 ' OG ' ' CG ' ' A' ' 585' ' ' LYS . 0.4 OUTLIER -150.38 109.42 3.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.043 178.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 15.5 tp -79.81 149.79 30.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.875 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.04 95.05 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.008 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.442 HD11 HD23 ' A' ' 625' ' ' LEU . 2.8 mp -87.93 101.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.443 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.486 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.7 m -112.6 136.62 51.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.531 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.59 HG22 HG22 ' A' ' 580' ' ' VAL . 14.0 t -108.95 125.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.347 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.623 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.8 m95 -123.69 149.61 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.718 0.294 . . . . 0.0 111.735 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.53 ' CB ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -83.74 109.04 17.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.851 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.674 ' HE1' HG23 ' A' ' 634' ' ' ILE . 28.6 t80 -69.93 161.63 29.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.428 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.603 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.16 130.39 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.47 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.674 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.49 134.06 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 111.289 -179.814 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.78 40.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.61 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -168.89 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.958 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 15.0 m -81.05 -162.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -117.61 -164.1 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -158.19 138.17 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 9.3 t80 -79.51 121.2 24.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.884 0.374 . . . . 0.0 111.184 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 50.5 mt -96.9 -35.39 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.69 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.506 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 147.45 159.74 8.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.693 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -167.11 -165.04 23.85 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.404 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.1 m -161.83 178.51 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -124.6 142.67 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.756 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.851 HD11 ' NE2' ' A' ' 673' ' ' HIS . 12.0 mt -128.82 103.17 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -148.96 145.03 12.92 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.754 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.93 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -57.36 -14.75 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 120.915 0.388 . . . . 0.0 111.568 -179.421 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 47.8 t -81.1 5.29 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.092 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -89.21 168.56 12.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.399 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -143.5 132.86 23.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.641 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 652' ' ' GLY . . . . . 0.434 ' C ' ' HG2' ' A' ' 653' ' ' GLU . . . 127.83 -79.77 0.37 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.794 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.434 ' HG2' ' C ' ' A' ' 652' ' ' GLY . 0.9 OUTLIER -138.32 -40.68 0.52 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.525 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -40.52 62.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 648' ' ' ILE . 24.9 tp -60.04 -35.52 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 3.1 mtpp -63.31 -50.44 70.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.551 ' ND1' ' HG2' ' A' ' 671' ' ' ARG . 22.7 t-160 -65.69 -62.55 1.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.267 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -50.22 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.236 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.93 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.08 -64.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.737 -179.641 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.54 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.5 pt-20 -42.25 -31.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.472 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.673 ' HA ' HD11 ' A' ' 669' ' ' ILE . 76.1 m -57.35 -42.68 82.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.817 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.2 mp -60.6 -28.95 68.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.144 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.542 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 10.9 pttt -83.19 -47.02 12.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.979 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.542 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 92.6 m-20 -106.19 58.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.488 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.586 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.5 OUTLIER -57.62 -73.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.165 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.23 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.779 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.0 OUTLIER -98.82 137.09 37.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 110.814 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.555 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.08 142.01 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.2 OUTLIER -109.26 168.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.423 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.456 ' H ' HG22 ' A' ' 669' ' ' ILE . 0.6 OUTLIER -158.13 135.8 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.398 . . . . 0.0 111.201 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.551 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -163.89 156.45 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.935 179.703 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.994 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.2 m95 -96.72 135.37 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.851 ' NE2' HD11 ' A' ' 646' ' ' LEU . 94.0 m-70 -115.31 130.17 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 111.99 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 642' ' ' GLY . 74.0 mt -59.28 136.12 57.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -126.52 162.06 26.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.655 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.27 70.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -93.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -159.5 -41.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.864 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 566' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.834 0.349 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.602 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . -133.47 -178.25 15.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.763 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -126.6 137.97 53.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.61 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -116.6 126.66 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.077 0.465 . . . . 0.0 111.821 -179.458 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.926 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.5 tp -79.66 125.74 30.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.359 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 54.2 t -123.21 140.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.365 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.642 ' HB2' HD11 ' A' ' 562' ' ' ILE . 37.4 t -116.93 143.86 45.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.239 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.493 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 81.7 mt -128.6 160.95 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.117 0.484 . . . . 0.0 111.787 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.545 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 2.4 tmm? 175.95 107.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 54.9 t80 -83.25 130.9 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.494 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' SER . . . . . 0.417 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.1 OUTLIER -104.19 90.61 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.854 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.619 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.1 p -54.87 -38.07 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 0.0 110.361 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -46.27 56.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.66 -16.03 33.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.592 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.29 58.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.509 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.23 172.75 32.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.547 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.662 HD13 HD11 ' A' ' 620' ' ' LEU . 7.0 tp -102.36 134.33 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 111.06 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.833 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -105.03 116.86 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.638 ' CG1' HD21 ' A' ' 625' ' ' LEU . 1.5 t -98.41 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.038 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -136.66 107.32 0.6 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.94 -1.124 . . . . 0.0 113.704 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 0.98 HD11 HD21 ' A' ' 582' ' ' LEU . 12.4 mm -86.59 97.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.882 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mp -75.98 -77.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.2 OUTLIER -155.66 170.24 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.058 0.456 . . . . 0.0 111.617 -179.064 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.576 ' SG ' HD11 ' A' ' 567' ' ' LEU . 2.4 p -127.53 158.73 36.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.08 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.9 m -143.22 144.37 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.228 0.537 . . . . 0.0 112.232 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 62.37 50.85 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.331 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.983 ' O ' HD13 ' A' ' 603' ' ' LEU . 10.9 mt -86.27 141.97 28.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.183 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.99 156.38 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.496 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.28 115.55 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.493 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.3 mmt -83.85 -22.62 31.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.811 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.83 157.65 18.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.02 -2.9 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -11.27 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.23 7.0 59.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.578 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.601 ' C ' HD21 ' A' ' 603' ' ' LEU . 2.8 m-85 -121.41 -168.8 1.74 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.758 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.723 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.2 m -158.74 -179.36 7.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.346 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.484 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 1.7 m-20 -126.55 56.95 18.6 Favored Pre-proline 0 C--N 1.33 -0.239 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.624 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.0 Cg_endo -66.89 144.97 72.85 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.57 2.847 . . . . 0.0 115.539 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 13.1 p90 -142.46 161.04 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.498 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 629' ' ' VAL . 16.7 t -113.58 137.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.581 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.0 mttp -116.19 133.06 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.641 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.98 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -119.78 136.35 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 111.512 -178.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.554 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.4 t90 -145.57 115.05 7.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 623' ' ' LYS . 13.2 tp -92.5 113.72 26.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.707 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -116.61 160.28 37.01 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.495 ' O ' ' NZ ' ' A' ' 623' ' ' LYS . 53.3 Cg_endo -69.12 108.45 0.76 Allowed 'Cis proline' 0 C--N 1.349 0.578 0 C-N-CA 123.978 -1.259 . . . . 0.0 112.096 0.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.707 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 1.3 p-10 -55.28 140.61 38.63 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.673 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -16.13 56.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.86 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -147.51 -177.32 21.87 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.697 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -94.7 25.03 4.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -123.14 6.51 9.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 587' ' ' ASP . . . -62.58 -19.39 63.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.131 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -77.87 138.72 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.803 ' HB2' HD12 ' A' ' 582' ' ' LEU . 5.0 m-70 -132.61 178.65 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.48 128.9 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.612 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.5 p -87.9 168.83 12.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.996 0.426 . . . . 0.0 111.155 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -44.69 156.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.562 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -89.83 125.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.595 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -94.19 72.42 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 109.748 179.058 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.484 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 8.6 mmtp -57.97 148.99 24.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.011 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.477 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.4 mmtm 38.55 69.48 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.211 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.775 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.9 t 179.09 142.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.835 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.983 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.9 mt -117.18 -11.73 10.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.535 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.4 m-80 -128.65 47.43 2.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.775 ' HB3' HG21 ' A' ' 602' ' ' THR . 98.7 Cg_endo -79.26 -177.08 3.63 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.872 2.381 . . . . 0.0 113.093 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 13.3 tt0 -132.07 114.84 15.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.287 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.885 ' HB2' HG22 ' A' ' 561' ' ' ILE . 67.6 m-85 -80.02 -50.34 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.488 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.4 p-10 46.15 50.32 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 0.0 110.255 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.472 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.8 mm-40 -110.04 136.85 48.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.124 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -109.53 115.67 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.612 ' CE1' HG22 ' A' ' 596' ' ' THR . 38.9 m-85 -97.04 176.91 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.247 0.546 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.833 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.3 t80 -144.81 126.44 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.598 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 9.8 m-85 -108.71 155.36 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -111.51 61.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.909 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.897 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.1 tp -125.25 142.98 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -71.8 135.33 46.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 29.6 t-80 -46.69 -49.26 19.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.361 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -12.19 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.608 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.897 ' CB ' HD11 ' A' ' 615' ' ' ILE . 5.1 m-20 -106.7 -27.07 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.61 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.662 HD11 HD13 ' A' ' 557' ' ' LEU . 0.2 OUTLIER -36.25 -67.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.379 179.328 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.839 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -41.87 -40.48 2.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.633 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -15.41 63.41 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.898 ' HB2' HD11 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -90.22 179.92 5.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.711 -179.51 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 585' ' ' LYS . 0.7 OUTLIER -150.82 111.7 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.638 HD21 ' CG1' ' A' ' 559' ' ' VAL . 42.9 tp -79.46 114.0 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -98.04 105.27 17.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.594 HD11 HD12 ' A' ' 646' ' ' LEU . 3.2 mp -95.89 108.73 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.501 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 70.9 m -115.26 147.67 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 580' ' ' VAL . 17.2 t -123.23 120.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.649 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.589 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 37.7 m95 -119.14 144.46 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.516 -179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.773 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.41 114.06 21.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.031 0.444 . . . . 0.0 110.426 179.233 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.722 ' HE1' HG23 ' A' ' 634' ' ' ILE . 28.4 t80 -70.54 162.4 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.281 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -160.0 126.28 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.718 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.722 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.69 135.3 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 111.212 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.89 -15.39 32.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.666 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 -165.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.45 158.55 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -164.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.487 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 5.3 m-20 -160.25 141.05 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 6.2 t80 -80.0 123.87 28.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.208 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.773 HD11 ' HB2' ' A' ' 631' ' ' ASP . 27.2 mt -102.05 -36.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.482 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.604 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 144.67 160.06 8.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.61 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -153.94 -161.09 10.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.58 153.81 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.478 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 1.5 pt20 -106.72 137.8 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 1.074 HD11 ' NE2' ' A' ' 673' ' ' HIS . 13.4 mt -124.17 89.9 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.16 143.54 15.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.907 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.913 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.9 OUTLIER -57.36 -13.93 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 120.826 0.346 . . . . 0.0 111.848 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 38.9 t -88.49 15.62 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.036 0.446 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -94.85 -171.95 2.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.464 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.82 135.93 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.723 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 107.81 -106.75 2.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.569 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.35 -40.21 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.991 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.8 OUTLIER -45.81 -26.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 648' ' ' ILE . 20.2 tp -88.23 -42.42 12.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.092 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 42.1 mttt -55.49 -57.33 12.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.493 ' NE2' ' HG ' ' A' ' 548' ' ' LEU . 17.8 t-160 -59.56 -55.56 32.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 110.976 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 66.5 t-105 -59.01 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.278 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.827 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -40.1 -63.99 0.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.545 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.7 pt-20 -43.41 -32.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.299 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 14.0 t -60.21 -38.65 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.658 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.839 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -61.62 -28.97 69.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.059 179.013 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -39.76 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.872 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.551 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.5 m-20 -104.68 48.67 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.619 ' HD2' HG22 ' A' ' 552' ' ' THR . 21.8 mtmt -36.4 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 666' ' ' ASP . . . . . 0.439 ' O ' ' SD ' ' A' ' 549' ' ' MET . 3.3 t0 -45.33 -24.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.551 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 2.0 mmmm -81.13 134.71 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.545 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.18 158.37 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 0.0 111.501 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.7 OUTLIER -139.18 155.97 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.41 179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.653 ' HG2' HD11 ' A' ' 562' ' ' ILE . 21.8 mt-10 -153.16 132.21 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 0.0 111.075 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.51 ' O ' HD12 ' A' ' 545' ' ' LEU . 2.4 mmt-85 -153.79 168.5 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.369 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.926 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.8 m95 -105.64 133.01 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.763 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 1.074 ' NE2' HD11 ' A' ' 646' ' ' LEU . 48.0 m-70 -115.43 129.02 56.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.3 115.1 16.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 642' ' ' GLY . 69.8 mt -58.59 134.47 56.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -126.87 160.13 31.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -100.81 74.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -49.32 -55.4 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -123.99 162.24 23.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.967 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.895 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -79.47 -157.24 12.19 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.668 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -124.75 138.6 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.616 0.246 . . . . 0.0 110.437 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.554 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -116.53 131.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.078 0.466 . . . . 0.0 111.695 -179.59 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.923 HD13 ' CE2' ' A' ' 672' ' ' TRP . 14.6 tp -86.87 121.49 29.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.481 HG21 HG21 ' A' ' 627' ' ' ILE . 55.7 t -121.68 132.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.727 ' HB3' HD11 ' A' ' 562' ' ' ILE . 82.6 p -113.58 122.07 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 658' ' ' TRP . 19.3 mt -95.73 165.82 12.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.487 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.541 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 1.3 ttp 173.61 119.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.065 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 53.3 t80 -102.64 136.56 42.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.004 0.431 . . . . 0.0 111.245 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.9 97.14 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.744 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.551 HG22 ' HD3' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.91 -34.71 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.122 0.487 . . . . 0.0 110.084 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -48.03 -42.45 28.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.052 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -97.23 -19.82 18.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.585 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 79.29 38.41 21.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.379 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.533 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -146.43 169.03 27.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.524 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.0 tp -95.78 159.0 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.756 0.312 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.848 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -129.02 118.53 46.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.914 HG11 HD22 ' A' ' 582' ' ' LEU . 11.3 t -106.03 120.59 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.755 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -107.56 123.16 7.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.278 -0.963 . . . . 0.0 113.433 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 582' ' ' LEU . 11.8 mm -100.95 95.47 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.796 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.8 mp -72.09 -76.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.502 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.1 OUTLIER -159.03 167.65 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 111.914 -179.006 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.8 p -124.57 159.84 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.849 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.28 148.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.285 0.564 . . . . 0.0 112.482 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.523 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 63.71 44.29 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.49 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.55 HD12 ' HG3' ' A' ' 578' ' ' PRO . 36.8 mt -84.15 155.21 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -79.19 157.19 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.35 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.603 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -119.76 108.85 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.669 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.3 mtm -87.21 -23.88 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.016 0.436 . . . . 0.0 110.689 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.91 157.78 29.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.88 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.27 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.47 -5.28 43.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.984 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.503 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 89.58 6.45 70.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.287 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.603 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.73 -169.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 111.866 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.608 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.4 OUTLIER -154.04 171.91 18.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.306 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.538 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.5 m-20 -119.01 60.53 4.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.55 ' HG3' HD12 ' A' ' 567' ' ' LEU . 35.7 Cg_endo -66.69 143.16 66.8 Favored 'Trans proline' 0 CA--C 1.526 0.081 0 C-N-CA 123.41 2.74 . . . . 0.0 115.195 -177.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.0 p90 -143.55 160.67 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.068 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 596' ' ' THR . 19.7 t -112.92 131.23 65.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.754 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 2.0 mttm -114.44 130.6 56.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.269 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -116.24 140.66 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 111.827 -178.833 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.545 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.8 t90 -148.61 114.39 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.117 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.3 tp -91.21 120.28 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.586 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.57 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 2.3 mttp -103.6 179.89 0.88 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.341 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.576 ' O ' ' CB ' ' A' ' 587' ' ' ASP . 52.1 Cg_exo -53.05 -53.48 0.12 OUTLIER 'Cis proline' 0 C--N 1.348 0.545 0 C-N-CA 123.324 -1.532 . . . . 0.0 112.212 -0.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER 152.14 129.69 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.155 179.032 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.78 -23.62 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.526 178.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.455 ' O ' ' OD2' ' A' ' 587' ' ' ASP . . . -154.71 -171.66 21.72 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.444 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.502 ' C ' ' CD ' ' A' ' 590' ' ' LYS . 0.0 OUTLIER -95.93 5.05 52.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.965 0.383 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 591' ' ' LYS . . . . . 0.49 ' HG3' ' HD3' ' A' ' 590' ' ' LYS . 0.4 OUTLIER -99.93 -7.06 25.68 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.035 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -49.43 -28.95 5.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 8.0 mptt -76.06 164.38 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 5.6 m-70 -160.17 172.81 16.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.164 0.507 . . . . 0.0 111.905 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.491 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -160.64 123.72 3.36 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.838 179.336 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.758 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.5 p -86.17 174.04 9.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.996 0.427 . . . . 0.0 111.406 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -47.3 141.67 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.676 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.696 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.8 mm -78.46 124.12 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.508 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.56 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -93.25 71.39 4.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.869 179.127 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.526 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.2 OUTLIER -66.29 141.93 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.656 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.492 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 56.53 62.65 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.664 179.42 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.857 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.3 t 178.46 148.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.962 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.608 HD21 ' N ' ' A' ' 576' ' ' SER . 16.9 mt -118.53 -13.17 9.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.486 ' ND2' ' N ' ' A' ' 604' ' ' ASN . 0.0 OUTLIER -133.74 52.03 7.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.857 ' HB3' HG21 ' A' ' 602' ' ' THR . 74.0 Cg_endo -77.93 -172.91 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.945 2.43 . . . . 0.0 113.238 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 33.9 tt0 -131.27 119.32 21.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.367 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.792 ' HB2' HG22 ' A' ' 561' ' ' ILE . 69.3 m-85 -85.35 -53.41 5.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.395 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.7 OUTLIER 48.37 50.71 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.171 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.48 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.2 mt-10 -110.91 139.88 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.224 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.758 ' CE1' HG22 ' A' ' 596' ' ' THR . 29.8 m-85 -90.4 172.28 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.889 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.848 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.3 t80 -142.9 121.17 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.526 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.595 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.8 m-85 -102.86 154.01 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -108.14 65.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.869 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -131.79 143.91 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -75.13 134.55 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.581 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 43.0 t-80 -45.42 -44.04 11.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -21.72 58.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.869 ' CB ' HD11 ' A' ' 615' ' ' ILE . 58.3 m-20 -102.36 -29.26 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.684 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.56 -67.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.811 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.3 -52.19 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.686 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 622' ' ' LYS . . . . . 0.509 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -64.16 -15.62 60.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.263 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.742 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.2 OUTLIER -71.5 -179.57 2.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.659 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 54.3 p -154.9 104.63 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.316 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 646' ' ' LEU . 62.7 tp -80.42 122.26 26.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.21 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -108.04 97.37 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.688 ' H ' HD12 ' A' ' 627' ' ' ILE . 2.4 mp -91.72 112.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.512 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 10.3 m -124.66 139.47 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 111.361 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.636 ' CG2' HD21 ' A' ' 675' ' ' LEU . 4.0 t -108.47 129.59 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 48.1 m95 -126.32 151.16 47.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 111.259 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.547 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.3 OUTLIER -87.92 133.21 33.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.132 0.491 . . . . 0.0 110.598 179.502 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.696 ' CG ' HG21 ' A' ' 598' ' ' ILE . 19.0 t80 -89.07 148.65 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.964 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.495 ' HB2' ' HB2' ' A' ' 636' ' ' LYS . 50.7 m-20 -155.18 106.27 2.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.563 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -48.95 128.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.211 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.75 -7.37 50.11 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.76 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 636' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 633' ' ' ASP . 5.1 mmtt -106.35 175.63 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.059 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 15.7 m -96.61 30.91 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.477 ' OD1' ' HA ' ' A' ' 632' ' ' TYR . 90.7 m-20 62.0 -176.8 0.13 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 631' ' ' ASP . 2.9 m-20 -144.79 154.58 42.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.204 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.598 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.19 119.35 32.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.69 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.669 HG12 ' HE1' ' A' ' 570' ' ' MET . 64.3 mt -99.36 -38.85 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.676 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.75 160.46 9.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.45 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.14 -168.36 23.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.664 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.03 12.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.487 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 3.5 pt20 -120.27 156.67 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.963 HD11 ' NE2' ' A' ' 673' ' ' HIS . 47.6 mt -146.76 94.3 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.08 137.71 9.02 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.985 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.2 tt -52.44 -19.03 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 120.825 0.345 . . . . 0.0 111.764 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 26.0 t -74.54 -1.85 23.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 0.0 110.334 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 654' ' ' ARG . . . -84.06 -168.58 2.21 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.405 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 135.87 21.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.756 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 96.12 -115.66 5.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.554 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 656' ' ' LYS . 4.3 tt0 -79.84 -54.04 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.517 ' HB2' ' HB1' ' A' ' 650' ' ' ALA . 2.3 mmt85 -41.0 -29.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.457 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 648' ' ' ILE . 25.3 tp -89.93 -62.11 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.533 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 1.7 ptpt -42.42 -52.95 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.082 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.67 ' CD2' HG22 ' A' ' 669' ' ' ILE . 6.3 t-80 -63.61 -62.02 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.65 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 55.7 t-105 -55.13 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.993 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.985 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -31.18 -57.67 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.939 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.788 ' HB3' HD12 ' A' ' 669' ' ' ILE . 25.3 mm-40 -38.03 -48.87 1.24 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.165 0.507 . . . . 0.0 110.342 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 33.6 t -43.31 -37.25 2.16 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.26 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.811 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.6 mp -71.4 -35.69 71.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.751 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.498 ' CD ' ' OE1' ' A' ' 660' ' ' GLU . 0.2 OUTLIER -79.38 -36.66 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.938 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.566 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.6 m-20 -108.66 48.95 0.83 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 3.4 mtmt -36.22 -81.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -50.92 -20.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.566 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 3.0 mmtt -88.16 158.29 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.473 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.1 OUTLIER -105.06 143.85 32.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 0.0 111.671 -179.436 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.2 mm -123.66 92.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.113 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 10.3 pm0 -103.58 133.67 48.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 111.819 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 545' ' ' LEU . 15.5 mmt180 -152.25 178.84 9.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.208 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.923 ' CE2' HD13 ' A' ' 545' ' ' LEU . 87.6 m95 -110.64 131.94 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.963 ' NE2' HD11 ' A' ' 646' ' ' LEU . 4.4 m-70 -115.41 129.68 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.33 102.23 5.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.676 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.2 mt -45.33 130.45 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.466 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 66.9 mt-30 -119.64 174.41 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.635 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.39 102.57 11.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.24 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.998 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.98 138.42 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -77.62 -162.24 17.31 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.727 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -124.29 143.42 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.515 HG23 HG23 ' A' ' 546' ' ' VAL . 0.0 OUTLIER -120.16 128.12 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.055 0.455 . . . . 0.0 112.006 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.961 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.3 tp -79.53 116.07 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.515 HG23 HG23 ' A' ' 544' ' ' ILE . 64.2 t -117.26 129.79 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.726 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.6 OUTLIER -106.8 147.86 29.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.109 179.187 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.485 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 26.2 mt -130.06 161.77 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 111.728 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 558' ' ' ILE . 13.5 ttp 174.85 133.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.099 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.525 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 48.0 t80 -109.85 132.53 54.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 111.44 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.25 79.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.891 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.55 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -45.89 -41.41 11.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.202 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.27 -46.11 54.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.136 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.64 -19.26 33.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.07 39.42 32.48 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.357 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.525 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.64 168.25 33.75 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.743 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 558' ' ' ILE . 10.1 tp -93.67 161.6 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.847 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -129.96 119.2 46.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.964 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.639 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.7 t -107.01 120.47 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -106.32 109.63 3.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.376 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 0.918 HG21 HG21 ' A' ' 596' ' ' THR . 3.7 mm -87.92 98.01 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.844 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -75.5 -78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.066 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.48 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -158.7 170.83 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.42 . . . . 0.0 112.042 -178.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.712 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.8 p -128.42 160.55 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.947 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.78 150.07 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 60.95 43.34 11.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.507 179.233 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.712 HD11 ' SG ' ' A' ' 564' ' ' CYS . 66.3 mt -81.48 162.8 23.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.68 163.32 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 575' ' ' TYR . . . -116.41 118.46 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.051 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -84.28 -21.33 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.75 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -91.42 159.07 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.71 -1.35 18.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 -12.47 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.719 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.6 4.81 60.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.62 -169.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 111.874 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.567 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.8 OUTLIER -159.55 176.91 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.452 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 2.6 m-20 -119.92 57.17 4.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.545 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 29.8 Cg_endo -64.63 138.51 59.39 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 123.318 2.679 . . . . 0.0 115.342 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 10.0 p90 -137.7 162.44 33.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.364 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.519 HG23 ' CE2' ' A' ' 607' ' ' PHE . 20.4 t -113.5 129.26 69.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.599 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.579 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.3 mttp -111.61 130.07 55.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.913 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 0.854 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -121.75 136.34 54.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 0.0 111.695 -179.088 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 3.3 t90 -142.78 119.37 11.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.672 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 623' ' ' LYS . 19.1 tp -90.63 110.86 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.977 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.452 ' HG3' ' OG ' ' A' ' 624' ' ' SER . 1.8 mttp -89.9 157.91 45.4 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.747 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.502 ' O ' ' C ' ' A' ' 587' ' ' ASP . 72.3 Cg_endo -89.91 108.21 0.87 Allowed 'Cis proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.359 -1.517 . . . . 0.0 112.055 -0.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 587' ' ' ASP . 10.2 p-10 -13.25 111.24 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.277 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 588' ' ' MET . . . . . 0.414 ' HE1' HD23 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -108.28 -27.39 10.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.701 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -113.43 -11.73 12.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.404 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 31.6 mttm 86.15 -33.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.583 0.23 . . . . 0.0 111.153 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -85.03 11.03 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.947 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -57.5 -23.98 53.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 2.8 mmtp -69.61 155.41 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 7.5 m-70 -156.62 170.2 22.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -161.07 119.0 2.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.401 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.918 HG21 HG21 ' A' ' 561' ' ' ILE . 19.4 p -69.61 176.52 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.42 146.54 53.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.228 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.665 HG21 ' CG ' ' A' ' 632' ' ' TYR . 4.3 mm -78.35 122.55 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.971 ' O ' HG22 ' A' ' 602' ' ' THR . 3.6 mmpt? -94.97 62.73 2.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.288 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 31.5 mmtm -35.02 146.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.2 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.497 ' HD2' ' HB3' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 35.95 79.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.392 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.971 HG22 ' O ' ' A' ' 599' ' ' LYS . 3.0 t 177.77 144.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.078 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.7 mt -117.7 -12.23 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -133.47 51.73 7.26 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.821 ' HB3' HG21 ' A' ' 602' ' ' THR . 97.0 Cg_endo -78.65 177.16 9.06 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.918 2.412 . . . . 0.0 113.277 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.48 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 29.8 tt0 -125.58 112.56 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.264 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 562' ' ' ILE . 58.3 m-85 -79.91 -58.1 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.354 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 561' ' ' ILE . 26.3 t-20 54.2 47.34 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.096 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.5 mm-40 -106.86 136.34 46.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.295 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.95 108.33 19.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.461 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 558' ' ' ILE . 21.1 m-85 -90.13 172.05 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.985 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.847 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.5 t80 -144.77 122.79 12.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.625 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.639 ' CE1' HG21 ' A' ' 559' ' ' VAL . 8.2 m-85 -104.44 149.74 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 614' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 614' ' ' ASP . 3.8 p-10 -104.93 51.16 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.773 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.904 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -115.18 142.59 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.939 0.4 . . . . 0.0 110.741 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -72.66 139.23 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.573 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.59 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 50.9 t-80 -49.13 -47.16 45.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 1.3 m -59.5 -13.44 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.904 ' CB ' HD11 ' A' ' 615' ' ' ILE . 18.4 m-20 -108.53 -30.17 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.59 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.08 -65.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.844 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.17 -55.26 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.648 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.18 52.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.303 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.757 ' HD2' HD13 ' A' ' 615' ' ' ILE . 10.8 mmpt? -69.76 -178.58 1.55 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.148 0.499 . . . . 0.0 111.161 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.452 ' OG ' ' HG3' ' A' ' 585' ' ' LYS . 52.4 p -158.19 103.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.185 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 646' ' ' LEU . 57.1 tp -80.93 123.28 28.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.191 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -109.25 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 646' ' ' LEU . 1.4 mp -91.01 104.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 0.3 OUTLIER -118.27 145.0 45.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.607 ' CG2' HD21 ' A' ' 675' ' ' LEU . 6.1 t -111.58 127.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.743 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.7 m95 -121.77 147.14 46.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.607 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.33 114.66 22.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 109.9 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.665 ' CG ' HG21 ' A' ' 598' ' ' ILE . 40.3 t80 -75.74 162.1 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.444 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.571 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 37.8 m-20 -160.52 125.13 3.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.798 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.664 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -82.72 134.07 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 91.59 -17.93 54.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.797 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.36 -166.42 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -79.8 -167.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.423 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 4.5 m120 -107.19 -168.62 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.5 m-20 -152.58 141.37 21.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -85.59 118.1 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.046 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.607 HD11 ' HB2' ' A' ' 631' ' ' ASP . 61.4 mt -93.89 -39.87 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.719 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 154.23 159.68 9.35 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.145 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.72 -170.57 23.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.894 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.75 173.07 14.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.738 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 645' ' ' GLN . . . . . 0.483 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 5.3 pt20 -122.95 146.07 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 0.764 HD11 ' NE2' ' A' ' 673' ' ' HIS . 19.3 mt -138.41 93.94 2.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.31 136.31 7.39 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.907 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.2 tt -51.67 -19.3 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 120.798 0.332 . . . . 0.0 111.589 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 46.8 t -73.46 -3.75 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.255 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 651' ' ' LYS . . . -81.9 -167.66 1.62 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 650' ' ' ALA . 14.3 mtpt -157.13 131.07 8.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 114.15 -106.17 1.67 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.441 ' HG3' ' HE3' ' A' ' 656' ' ' LYS . 24.6 mp0 -97.7 -47.44 5.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.966 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.0 OUTLIER -47.79 -29.19 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 648' ' ' ILE . 22.0 tp -82.53 -46.47 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.56 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 5.4 ptpt -54.21 -55.67 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.589 ' CD2' ' HG2' ' A' ' 671' ' ' ARG . 1.0 OUTLIER -60.43 -58.19 9.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.109 0.48 . . . . 0.0 110.611 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.571 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.6 t-105 -59.71 -80.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.907 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -37.45 -65.98 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.32 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -43.4 -31.67 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.204 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 18.7 t -58.97 -41.3 87.23 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.844 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -58.68 -36.23 73.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.928 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 660' ' ' GLU . 11.8 mtmt -79.98 -45.25 18.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.372 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 30.6 m-20 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.311 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.59 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 2.9 mttt -52.5 -88.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.788 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -36.53 -28.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.817 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.3 mmtp -80.99 128.55 33.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.885 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.5 OUTLIER -81.18 125.9 30.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.661 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.9 OUTLIER -106.13 152.67 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.79 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.1 OUTLIER -151.88 147.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.142 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.589 ' HG2' ' CD2' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -169.54 156.3 6.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.886 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.961 ' NE1' HD13 ' A' ' 545' ' ' LEU . 86.0 m95 -91.9 131.96 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.32 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 0.764 ' NE2' HD11 ' A' ' 646' ' ' LEU . 86.5 m-70 -113.06 130.01 56.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 674' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 5.8 pm0 -77.32 103.25 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.688 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 642' ' ' GLY . 85.8 mt -45.86 129.63 9.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.356 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 676' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 63.6 mt-30 -125.87 160.32 30.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -101.75 101.04 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' GLU . . . . . 0.443 ' HA ' ' OE1' ' A' ' 678' ' ' GLU . 6.1 mm-40 -56.91 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 679' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 680' ' ' HIS . 5.8 p-10 -97.73 -7.51 30.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.045 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 680' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 679' ' ' ASN . 18.0 m80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 13.1 mtp180 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.782 0.325 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' GLY . . . . . 0.585 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 111.71 174.14 19.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.8 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 564' ' ' CYS . 11.1 mtmt -133.09 142.89 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' ILE . . . . . 0.573 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -117.79 124.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.567 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 545' ' ' LEU . . . . . 0.938 ' HG ' HD13 ' A' ' 562' ' ' ILE . 19.8 tp -79.81 123.54 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.407 HG21 HG21 ' A' ' 627' ' ' ILE . 65.2 t -123.08 138.6 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 547' ' ' SER . . . . . 0.495 ' HB2' ' HG3' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -116.03 126.78 54.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.389 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 548' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 658' ' ' TRP . 12.1 mt -105.94 152.25 23.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.973 0.416 . . . . 0.0 111.194 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.528 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 3.0 ttp -173.59 124.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 550' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 665' ' ' LYS . 44.5 t80 -103.78 131.63 50.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.64 82.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 552' ' ' THR . . . . . 0.614 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.3 p -47.02 -40.91 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.012 0.434 . . . . 0.0 110.157 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.25 -49.54 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.727 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -80.4 -17.72 51.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.286 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.54 40.79 53.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.408 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' GLY . . . . . 0.512 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.5 176.89 33.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.59 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' LEU . . . . . 0.522 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.7 tp -100.36 158.68 15.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.808 0.337 . . . . 0.0 110.686 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.849 HD13 ' CD1' ' A' ' 612' ' ' PHE . 1.1 mm -127.68 121.25 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.2 t -108.29 124.89 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.621 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -115.04 119.35 4.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.559 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' ILE . . . . . 1.091 HD11 HD21 ' A' ' 582' ' ' LEU . 38.5 mm -95.8 99.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.9 mp -77.64 -75.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' ARG . . . . . 0.534 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 1.0 OUTLIER -159.73 166.24 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.926 -178.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 564' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -122.0 161.31 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.847 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.27 145.14 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 67.74 45.54 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.403 179.409 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 567' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 603' ' ' LEU . 33.3 mt -85.38 146.14 27.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' ALA . . . . . 0.558 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -67.99 166.6 15.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 569' ' ' ALA . . . . . 0.508 ' HB1' ' C ' ' A' ' 574' ' ' GLY . . . -110.06 120.32 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.679 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 570' ' ' MET . . . . . 0.546 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -93.15 -18.9 22.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.355 -179.065 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -97.23 161.45 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.223 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -70.62 -8.46 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.01 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -82.33 -9.35 59.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 574' ' ' GLY . . . . . 0.508 ' C ' ' HB1' ' A' ' 569' ' ' ALA . . . 92.98 15.42 52.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.643 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 575' ' ' TYR . . . . . 0.592 ' C ' HD21 ' A' ' 603' ' ' LEU . 3.0 m-85 -126.46 -169.7 2.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.411 . . . . 0.0 111.816 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 576' ' ' SER . . . . . 0.581 ' N ' HD21 ' A' ' 603' ' ' LEU . 22.3 m -151.76 -179.71 7.68 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.911 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' ASP . . . . . 0.532 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 7.1 m-20 -130.79 59.22 44.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.39 0.614 . . . . 0.0 109.451 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 578' ' ' PRO . . . . . 0.788 ' HB3' HD12 ' A' ' 641' ' ' ILE . 38.2 Cg_endo -68.61 150.03 74.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.521 2.814 . . . . 0.0 115.5 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 579' ' ' PHE . . . . . 0.611 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 19.7 p90 -147.09 160.88 41.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.687 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 580' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 629' ' ' VAL . 22.7 t -115.31 133.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.759 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 581' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.2 OUTLIER -115.6 132.96 56.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.477 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 582' ' ' LEU . . . . . 1.091 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -120.36 139.8 52.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 111.829 -178.651 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 583' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.55 119.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.948 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 584' ' ' LEU . . . . . 0.612 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 21.5 tp -92.92 107.16 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 585' ' ' LYS . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 1.7 mtpp -89.03 156.63 49.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.948 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 586' ' ' PRO . . . . . 0.563 ' HD2' ' NZ ' ' A' ' 623' ' ' LYS . 2.4 Cg_endo -82.81 110.33 1.84 Allowed 'Cis proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.842 -1.316 . . . . 0.0 111.89 -0.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 587' ' ' ASP . . . . . 0.462 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 2.0 p-10 -25.28 119.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.695 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -32.37 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 589' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -119.74 -6.75 10.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 4.8 tttp 87.79 -31.84 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.758 0.313 . . . . 0.0 111.06 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -83.91 10.93 8.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -59.49 -19.17 45.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.532 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 9.2 mttp -75.67 151.7 37.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.823 ' HB2' HD12 ' A' ' 582' ' ' LEU . 18.9 m-70 -145.18 176.95 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.78 119.68 2.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.104 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 596' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.2 p -78.48 161.83 26.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.895 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.7 155.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.791 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ILE . . . . . 0.655 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.0 OUTLIER -87.0 126.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.631 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 599' ' ' LYS . . . . . 0.922 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -96.82 36.68 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.542 . . . . 0.0 110.289 179.311 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.571 ' HD3' ' CD1' ' A' ' 632' ' ' TYR . 3.8 mttp -28.7 140.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.156 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' LYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 68.34 58.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.091 179.092 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 602' ' ' THR . . . . . 0.922 HG22 ' O ' ' A' ' 599' ' ' LYS . 6.3 t 178.88 148.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.017 0.437 . . . . 0.0 111.624 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.2 mt -116.18 -12.79 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.754 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.443 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -134.35 52.94 8.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.89 ' HB3' HG21 ' A' ' 602' ' ' THR . 83.0 Cg_endo -79.25 176.84 9.28 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.031 2.487 . . . . 0.0 113.322 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 606' ' ' GLU . . . . . 0.534 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -128.58 115.36 17.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.12 179.235 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 607' ' ' PHE . . . . . 0.682 ' HB2' HG22 ' A' ' 561' ' ' ILE . 73.3 m-85 -79.72 -49.32 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.452 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 49.42 50.17 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 110.02 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 609' ' ' GLU . . . . . 0.451 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 5.2 mt-10 -109.24 136.22 49.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.192 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.1 111.45 22.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 558' ' ' ILE . 45.3 m-85 -95.51 174.1 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.628 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' PHE . . . . . 0.849 ' CD1' HD13 ' A' ' 558' ' ' ILE . 5.5 t80 -145.08 117.0 8.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 613' ' ' TYR . . . . . 0.612 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 4.6 m-85 -99.22 149.07 23.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.4 69.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' ILE . . . . . 0.891 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -128.62 145.4 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 616' ' ' LYS . . . . . 0.413 ' N ' HG13 ' A' ' 615' ' ' ILE . 1.2 mtpt -75.03 131.95 40.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 617' ' ' HIS . . . . . 0.581 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 46.9 t-80 -43.49 -49.52 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -15.02 8.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.306 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' ASP . . . . . 0.891 ' CB ' HD11 ' A' ' 615' ' ' ILE . 0.9 OUTLIER -105.54 -28.25 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.623 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 620' ' ' LEU . . . . . 0.599 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.76 -68.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.698 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 621' ' ' ALA . . . . . 0.835 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.26 -49.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.002 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -18.35 65.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.598 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' LYS . . . . . 0.755 ' HE3' HD13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -69.92 -174.89 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 0.0 111.403 -179.564 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.433 ' C ' HD12 ' A' ' 584' ' ' LEU . 25.9 p -160.05 104.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.614 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.488 HD21 ' CG1' ' A' ' 559' ' ' VAL . 54.6 tp -79.97 118.85 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.884 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -104.66 96.99 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 627' ' ' ILE . 3.4 mp -91.87 104.11 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 628' ' ' SER . . . . . 0.519 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 51.6 p -115.73 135.79 53.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.151 0.5 . . . . 0.0 111.815 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 580' ' ' VAL . 20.2 t -107.88 121.78 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 630' ' ' TRP . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 34.4 m95 -121.23 152.32 38.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.362 . . . . 0.0 111.37 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 631' ' ' ASP . . . . . 0.584 ' HB2' HD11 ' A' ' 641' ' ' ILE . 1.0 OUTLIER -86.58 135.77 33.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.027 179.04 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 632' ' ' TYR . . . . . 0.655 ' CD2' HD12 ' A' ' 598' ' ' ILE . 32.0 t80 -98.09 158.03 15.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.987 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 632' ' ' TYR . 74.1 m-20 -155.61 125.4 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 634' ' ' ILE . . . . . 0.596 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -77.91 139.46 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.72 -7.49 49.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.608 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.41 -174.53 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 7.8 m -80.45 -178.35 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -93.67 -173.52 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.6 m-20 -147.26 149.32 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 640' ' ' TYR . . . . . 0.584 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -87.05 117.46 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 641' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 578' ' ' PRO . 9.2 mt -95.4 -42.64 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.679 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 642' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 150.76 158.05 8.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.02 -160.79 10.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.778 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.9 154.76 18.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.756 0.312 . . . . 0.0 110.818 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.53 136.49 40.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' LEU . . . . . 1.062 HD11 ' NE2' ' A' ' 673' ' ' HIS . 10.5 mt -126.61 93.91 3.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.082 0.468 . . . . 0.0 111.475 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -142.67 142.2 11.35 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' ILE . . . . . 0.959 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.4 tt -55.35 -16.97 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 120.91 0.386 . . . . 0.0 111.49 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -80.14 4.02 18.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 109.957 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -84.53 169.69 14.21 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.325 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.25 134.28 19.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.557 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 127.62 -62.47 0.63 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.87 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 654' ' ' ARG . 9.3 pt-20 -157.95 -40.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.768 0.284 . . . . 0.0 111.668 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' ARG . . . . . 0.522 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.2 mtm-85 -51.6 -39.41 57.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.785 0.326 . . . . 0.0 111.065 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.3 tp -57.83 -40.94 81.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 25.2 mttm -59.25 -43.67 92.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.979 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' HIS . . . . . 0.511 ' NE2' ' O ' ' A' ' 669' ' ' ILE . 10.4 t-160 -73.86 -67.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.69 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 658' ' ' TRP . . . . . 0.662 ' HA ' HD12 ' A' ' 548' ' ' LEU . 52.8 t-105 -43.92 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.54 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 659' ' ' TYR . . . . . 0.959 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.4 OUTLIER -36.12 -54.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.398 179.545 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 660' ' ' GLU . . . . . 0.873 ' HB3' HD12 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -38.47 -44.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 -179.369 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 661' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 557' ' ' LEU . 45.6 t -49.36 -37.17 23.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.472 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.835 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.8 mp -68.11 -40.5 82.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 663' ' ' LYS . . . . . 0.455 ' HD3' ' OE1' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -79.49 -33.89 41.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.353 0.597 . . . . 0.0 109.662 179.614 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.614 ' HB2' HD11 ' A' ' 669' ' ' ILE . 9.8 m-80 -109.5 45.21 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.676 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' LYS . . . . . 0.614 ' HD2' HG22 ' A' ' 552' ' ' THR . 3.9 mtmt -35.61 -92.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 666' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 0.5 OUTLIER -42.7 -27.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.086 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 667' ' ' LYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 0.9 OUTLIER -79.9 150.04 30.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 668' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 2.4 mtpt -90.17 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.693 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ILE . . . . . 0.873 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.1 mm -139.09 98.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' GLU . . . . . 0.495 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 0.8 OUTLIER -102.85 133.27 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.424 -179.249 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ARG . . . . . 0.498 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 1.5 mmm180 -153.56 162.08 41.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 672' ' ' TRP . . . . . 0.803 ' NE1' HD13 ' A' ' 545' ' ' LEU . 90.2 m95 -101.89 130.49 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 673' ' ' HIS . . . . . 1.062 ' NE2' HD11 ' A' ' 646' ' ' LEU . 33.1 m-70 -113.71 129.47 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.068 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.54 117.52 15.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.076 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' ' 642' ' ' GLY . 83.7 mt -63.87 128.9 37.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.208 0.527 . . . . 0.0 111.595 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -125.22 160.94 28.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.509 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -100.96 96.18 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.125 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.75 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -140.73 -77.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.579 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.246 0 N-CA-C 112.616 -0.194 . . . . 0.0 112.616 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -131.3 147.63 52.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.628 0.251 . . . . 0.0 110.537 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.61 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.98 128.58 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.585 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.891 HD13 ' CE2' ' A' ' 672' ' ' TRP . 16.2 tp -79.84 116.1 19.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.729 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 670' ' ' GLU . 53.9 t -113.38 128.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.776 ' HB3' HD11 ' A' ' 562' ' ' ILE . 26.5 p -110.36 111.52 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.487 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 17.2 mt -92.52 166.65 12.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 111.59 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.524 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.4 tmm? 171.74 127.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.191 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.542 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 50.2 t80 -107.83 136.32 47.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.951 0.405 . . . . 0.0 111.449 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . 0.404 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.1 OUTLIER -107.9 84.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.869 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.665 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.1 p -51.22 -39.66 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -46.56 58.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.301 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 554' ' ' GLN . 7.4 mm-40 -85.45 -18.75 32.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.05 39.36 32.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.382 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.542 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -151.67 173.6 30.94 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.604 HD12 ' H ' ' A' ' 558' ' ' ILE . 6.6 tp -99.95 161.42 13.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.746 0.308 . . . . 0.0 110.633 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.845 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -130.16 120.85 50.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.938 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 582' ' ' LEU . 3.1 t -108.43 125.35 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.412 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -116.84 109.38 1.91 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.076 -1.059 . . . . 0.0 113.649 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.011 HD11 ' CD2' ' A' ' 582' ' ' LEU . 42.1 mm -87.39 93.95 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.844 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -70.87 -75.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.551 ' HG3' ' CH2' ' A' ' 672' ' ' TRP . 2.2 ptm180 -157.07 174.91 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.876 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.6 p -131.56 161.12 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.01 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.41 HG13 ' CH2' ' A' ' 672' ' ' TRP . 18.7 m -147.9 152.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 112.34 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.23 46.78 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.319 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.753 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.5 mt -84.14 154.68 22.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.564 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -73.29 164.35 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.495 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.492 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.78 120.75 43.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.661 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -93.33 -19.07 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.151 -179.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -98.68 160.16 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.88 -5.62 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.248 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.79 -11.54 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.642 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.97 14.44 52.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.628 ' HA ' HD21 ' A' ' 603' ' ' LEU . 3.0 m-85 -125.95 -169.93 2.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.844 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.547 ' N ' HD21 ' A' ' 603' ' ' LEU . 13.7 m -155.01 177.68 11.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.503 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 4.5 m-20 -127.7 56.84 21.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.747 ' HB3' HD12 ' A' ' 641' ' ' ILE . 39.1 Cg_endo -68.85 141.4 48.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 123.502 2.802 . . . . 0.0 115.299 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 15.6 p90 -136.79 162.13 34.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.227 -1.351 . . . . 0.0 107.625 177.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 629' ' ' VAL . 40.9 t -114.98 132.25 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.632 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 3.0 mtpm? -114.37 136.77 52.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.527 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.011 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.85 139.01 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 111.785 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.576 ' CE2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.84 117.34 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.032 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.776 HD11 ' HB3' ' A' ' 623' ' ' LYS . 9.2 tp -97.9 126.77 43.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.783 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.576 ' HG2' ' CE2' ' A' ' 583' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.765 0.317 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.53 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 10.0 mttt -84.28 153.02 23.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.84 ' HB2' HD12 ' A' ' 582' ' ' LEU . 17.7 m-70 -144.69 179.11 7.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.26 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.75 119.44 2.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.327 179.395 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.673 HG21 HG21 ' A' ' 561' ' ' ILE . 2.7 p -76.99 165.45 24.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -43.62 148.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.782 HD12 ' CD2' ' A' ' 632' ' ' TYR . 2.1 mm -80.19 122.73 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.493 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.598 ' O ' HG22 ' A' ' 602' ' ' THR . 2.7 mmpt? -93.25 71.23 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 4.8 mmtm -62.0 150.41 38.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.921 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.8 mmtt 41.59 66.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.855 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.6 t -179.44 143.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.204 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 567' ' ' LEU . 13.0 mt -113.51 -12.38 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.83 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.429 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 1.1 m-80 -134.48 53.71 10.17 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.847 ' HB3' HG21 ' A' ' 602' ' ' THR . 83.9 Cg_endo -81.22 -173.13 1.7 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.828 2.352 . . . . 0.0 113.021 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.535 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -135.31 115.98 13.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.365 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.58 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 80.4 m-85 -79.93 -60.07 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.158 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 562' ' ' ILE . 0.8 OUTLIER 59.9 45.48 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -107.1 131.05 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.016 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -105.71 114.73 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 582' ' ' LEU . 55.8 m-85 -97.41 173.93 6.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.978 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.845 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.8 t80 -143.65 118.71 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.619 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.61 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.56 150.7 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.75 70.49 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.125 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.873 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.7 OUTLIER -131.48 143.21 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.653 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 615' ' ' ILE . 24.1 mmtp -72.2 131.39 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.584 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 30.4 t-80 -44.34 -42.79 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -23.34 63.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.99 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.873 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.6 m-20 -100.29 -29.08 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.67 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.82 -67.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.743 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.905 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -35.8 -59.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.933 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 619' ' ' ASP . 0.1 OUTLIER -61.29 -16.04 41.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.643 -179.055 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.776 ' HB3' HD11 ' A' ' 584' ' ' LEU . 8.7 mmpt? -64.88 172.97 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.073 0.463 . . . . 0.0 111.217 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.8 p -150.54 100.78 2.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.244 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.556 HD23 HD11 ' A' ' 627' ' ' ILE . 39.7 tp -79.76 121.71 25.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -104.2 95.27 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.556 HD11 HD23 ' A' ' 625' ' ' LEU . 4.2 mp -90.72 106.84 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.519 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 5.0 m -118.59 139.74 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.118 0.485 . . . . 0.0 111.73 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 580' ' ' VAL . 26.0 t -109.48 122.01 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.453 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.609 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 37.9 m95 -120.48 151.68 39.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.627 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.6 OUTLIER -86.06 137.01 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.291 179.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.782 ' CD2' HD12 ' A' ' 598' ' ' ILE . 22.3 t80 -99.29 160.36 14.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.969 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 38.8 m-20 -155.32 127.78 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.5 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -77.55 134.58 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.987 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.48 2.76 51.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -163.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.26 167.73 10.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -80.17 -172.83 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 631' ' ' ASP . 37.5 m-20 -153.48 152.36 30.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.74 119.72 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.02 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.747 HD12 ' HB3' ' A' ' 578' ' ' PRO . 34.4 mt -100.71 -44.51 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 159.15 160.28 10.28 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.65 -162.52 13.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.587 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.59 165.04 26.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -112.29 137.09 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.878 HD11 ' NE2' ' A' ' 673' ' ' HIS . 10.2 mt -128.04 96.95 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.061 0.458 . . . . 0.0 111.81 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -144.81 138.81 8.03 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 1.004 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.3 tt -53.04 -18.45 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 117.036 0.418 . . . . 0.0 111.366 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 18.8 t -71.68 -6.69 42.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.163 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.261 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.557 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.8 mtm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.632 0.253 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.9 tp -65.38 -36.01 82.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 1.3 pttp -63.69 -50.66 68.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.623 ' CD2' HG22 ' A' ' 669' ' ' ILE . 13.1 t-80 -69.71 -52.37 26.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.476 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.597 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.3 t-105 -60.05 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.113 0.482 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 1.004 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.6 OUTLIER -31.82 -59.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.923 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.691 ' CG ' HD12 ' A' ' 669' ' ' ILE . 5.7 pt-20 -43.67 -38.28 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.181 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 23.2 t -51.59 -39.79 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 109.767 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.905 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.7 OUTLIER -62.33 -33.95 75.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 179.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -41.43 23.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.839 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.736 ' HB2' HD11 ' A' ' 669' ' ' ILE . 5.3 m120 -100.17 60.52 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.581 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.665 ' HD3' HG22 ' A' ' 552' ' ' THR . 1.9 mttt -53.4 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.331 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -18.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.394 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.1 OUTLIER -89.06 137.04 32.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.729 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.46 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 2.4 mtpt -79.65 123.15 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 664' ' ' ASN . 1.1 mm -112.08 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.651 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 6.0 pm0 -112.98 154.57 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.08 0.467 . . . . 0.0 111.636 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.602 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -174.03 161.31 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.891 ' CE2' HD13 ' A' ' 545' ' ' LEU . 91.9 m95 -89.32 129.23 35.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.254 0.549 . . . . 0.0 112.227 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.878 ' NE2' HD11 ' A' ' 646' ' ' LEU . 26.8 m-70 -108.75 138.4 45.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.198 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -83.32 122.33 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.376 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.424 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 84.0 mt -67.39 137.16 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.083 0.468 . . . . 0.0 111.562 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -128.07 160.91 30.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 13.2 t30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.943 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.59 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.579 ' HD2' HG23 ' A' ' 565' ' ' VAL . 0.0 OUTLIER -138.51 145.33 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.583 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -120.2 128.96 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 111.625 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.918 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.3 tp -79.61 121.68 25.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 88.5 t -115.04 132.23 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.746 ' HB3' HD11 ' A' ' 562' ' ' ILE . 44.7 p -113.81 103.79 11.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 669' ' ' ILE . 13.9 mt -91.09 164.11 14.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 111.808 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.535 ' CG ' ' HA ' ' A' ' 668' ' ' LYS . 0.9 OUTLIER 174.36 128.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.566 ' HD1' HD11 ' A' ' 620' ' ' LEU . 59.2 t80 -103.71 134.18 47.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.903 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . 0.668 ' OG ' HD11 ' A' ' 558' ' ' ILE . 4.4 p -100.23 92.93 5.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.034 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.422 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.2 p -65.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 109.787 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.81 -43.18 69.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.945 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.482 ' HG3' ' HB2' ' A' ' 551' ' ' SER . 0.1 OUTLIER -90.83 -19.55 23.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.226 179.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 551' ' ' SER . . . 78.02 38.78 25.65 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.442 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -150.5 168.92 30.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.906 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 5.8 tp -94.51 154.91 17.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 0.0 110.498 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.804 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.6 mm -127.89 123.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.98 0.419 . . . . 0.0 110.901 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 582' ' ' LEU . 3.0 t -113.43 120.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.646 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.455 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -112.06 119.9 5.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.539 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.032 HD11 HD21 ' A' ' 582' ' ' LEU . 38.8 mm -95.53 97.74 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.894 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.4 mp -73.28 -73.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -160.98 178.84 8.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.184 0.516 . . . . 0.0 111.921 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 567' ' ' LEU . 7.0 p -135.0 159.5 41.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.829 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.579 HG23 ' HD2' ' A' ' 543' ' ' LYS . 28.2 m -142.09 147.83 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 53.05 54.71 9.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.399 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.789 ' O ' HD13 ' A' ' 603' ' ' LEU . 11.1 mt -83.5 161.9 21.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.2 150.29 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.58 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -118.5 109.45 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.577 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.8 mtm -90.7 -20.08 22.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.41 158.31 36.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.651 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.96 0.78 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.407 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.56 -4.89 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 88.06 6.56 75.14 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.169 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.58 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.64 -169.15 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.003 0.43 . . . . 0.0 111.815 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.497 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.7 OUTLIER -155.95 171.45 20.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 599' ' ' LYS . 2.1 m-20 -117.52 58.32 2.48 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 109.381 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.712 ' HB3' HD12 ' A' ' 641' ' ' ILE . 33.4 Cg_endo -65.58 139.59 59.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 123.4 2.733 . . . . 0.0 114.964 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.9 p90 -139.33 161.37 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.315 -1.311 . . . . 0.0 107.701 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.663 ' O ' HG23 ' A' ' 596' ' ' THR . 22.0 t -114.41 130.31 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 119.837 -0.745 . . . . 0.0 112.737 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.95 133.94 55.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.303 178.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.032 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -121.79 139.79 53.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.005 0.431 . . . . 0.0 111.826 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.565 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.6 t90 -148.91 117.51 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.626 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.1 tp -94.01 115.12 27.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 624' ' ' SER . 3.0 pttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.863 0.364 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.565 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.2 OUTLIER -64.4 160.37 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.1 m-70 -160.32 170.64 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.232 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.56 119.01 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.212 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 580' ' ' VAL . 3.4 p -79.28 161.07 26.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -40.82 144.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.691 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.674 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.6 mm -77.9 126.8 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.363 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 602' ' ' THR . 11.6 mmpt? -92.49 72.6 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.26 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.55 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 35.2 mmtm -51.28 143.72 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.028 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.437 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 31.66 76.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.028 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.805 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.8 t -179.0 144.56 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.769 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.5 mt -119.22 -12.29 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.557 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.2 OUTLIER -129.3 45.79 1.92 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.561 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.805 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.5 Cg_endo -74.64 -174.51 1.89 Allowed 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.966 2.444 . . . . 0.0 112.957 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.4 OUTLIER -132.81 115.84 15.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.28 179.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.674 ' CB ' HG22 ' A' ' 561' ' ' ILE . 71.9 m-85 -80.93 -56.01 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' ILE . 5.2 t-20 49.63 46.74 23.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.256 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.454 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 9.5 mm-40 -107.74 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.78 114.28 27.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.784 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 42.4 m-85 -96.7 175.55 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.136 0.493 . . . . 0.0 111.721 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.804 ' HD1' HD13 ' A' ' 558' ' ' ILE . 3.9 t80 -147.27 118.25 7.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.721 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.626 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.16 148.24 24.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.691 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.75 69.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.989 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.904 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -134.28 145.1 33.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -74.48 144.68 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.433 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.534 ' NE2' ' HD3' ' A' ' 665' ' ' LYS . 57.6 t-80 -53.71 -44.67 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -18.71 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.904 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.4 m-20 -101.48 -31.22 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.742 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.689 HD21 HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -33.29 -68.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.889 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.762 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.55 -54.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.025 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -16.9 55.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.082 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.848 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -72.86 164.12 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.292 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . 0.442 ' HB2' ' HE3' ' A' ' 585' ' ' LYS . 0.0 OUTLIER -145.21 103.39 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.911 179.327 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 584' ' ' LEU . 28.5 tp -79.07 154.68 29.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.801 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 4.2 t0 -132.19 96.29 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.474 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -92.34 92.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.224 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.509 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.2 m -109.16 136.71 48.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.54 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 580' ' ' VAL . 15.3 t -103.75 124.86 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.32 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.606 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 67.8 m95 -121.07 146.57 46.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.232 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 639' ' ' ASP . 0.0 OUTLIER -86.27 118.43 25.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.045 0.45 . . . . 0.0 110.452 179.565 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.674 ' CG ' HG21 ' A' ' 598' ' ' ILE . 52.6 t80 -79.97 161.51 25.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.471 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.6 OUTLIER -160.11 119.02 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.052 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.517 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -70.41 133.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 80.57 -11.48 39.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.801 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -130.67 -176.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.1 m -80.0 -176.18 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.805 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.61 178.73 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 631' ' ' ASP . 37.9 m-20 -139.96 149.51 43.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -93.12 115.92 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.906 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.712 HD12 ' HB3' ' A' ' 578' ' ' PRO . 40.0 mt -96.24 -39.42 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.551 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 149.51 164.0 11.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.307 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -167.94 -163.04 21.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.739 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 674' ' ' GLN . 5.5 m -165.69 142.71 5.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.43 137.43 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.806 HD11 ' NE2' ' A' ' 673' ' ' HIS . 8.2 mt -120.24 96.74 5.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 111.362 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -145.99 146.11 15.87 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.57 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.898 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -59.19 -13.3 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 120.815 0.341 . . . . 0.0 111.667 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -87.09 13.49 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.462 . . . . 0.0 109.949 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.476 -179.682 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.526 ' HB3' HD23 ' A' ' 646' ' ' LEU . 4.0 mtm180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.2 tp -57.55 -37.01 72.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.557 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 9.1 pttt -62.85 -55.52 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.902 ' CD2' HG22 ' A' ' 669' ' ' ILE . 4.7 t-160 -59.57 -56.7 18.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -59.63 -80.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.083 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.898 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -38.65 -64.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.286 -179.579 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.9 pt-20 -45.14 -30.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.256 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 11.5 t -61.84 -39.36 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.762 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -59.49 -31.69 69.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.132 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.474 ' CG ' ' OD1' ' A' ' 664' ' ' ASN . 0.7 OUTLIER -78.01 -41.63 35.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.779 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.558 ' HB3' ' CG ' ' A' ' 667' ' ' LYS . 33.5 m-20 -107.78 66.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.702 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.534 ' HD3' ' NE2' ' A' ' 617' ' ' HIS . 0.4 OUTLIER -67.69 -73.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -33.32 -31.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.67 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.558 ' CG ' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -108.27 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.704 0.287 . . . . 0.0 110.428 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.81 175.75 10.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.456 0.646 . . . . 0.0 112.148 -178.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.902 HG22 ' CD2' ' A' ' 657' ' ' HIS . 0.9 OUTLIER -145.29 118.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.784 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.517 ' CG ' ' HB3' ' A' ' 547' ' ' SER . 5.2 mt-10 -114.4 130.95 56.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.148 0.499 . . . . 0.0 112.184 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.647 ' CG ' ' CD2' ' A' ' 657' ' ' HIS . 4.1 mmt180 -153.99 163.99 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.972 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.918 ' NE1' HD13 ' A' ' 545' ' ' LEU . 80.5 m95 -103.11 132.33 49.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.806 ' NE2' HD11 ' A' ' 646' ' ' LEU . 32.0 m-70 -115.47 129.32 56.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.515 ' OE1' ' CG ' ' A' ' 676' ' ' GLN . 0.0 OUTLIER -76.83 122.04 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.964 0.411 . . . . 0.0 110.342 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 642' ' ' GLY . 90.8 mt -64.77 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.212 0.529 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.515 ' CG ' ' OE1' ' A' ' 674' ' ' GLN . 67.7 mt-30 -125.1 162.6 24.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.817 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.626 ' N ' HD12 ' A' ' 675' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.674 -0.17 . . . . 0.0 112.674 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.528 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 1.6 mtmm -132.49 158.19 42.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.693 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -134.98 124.3 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.019 0.438 . . . . 0.0 111.653 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.967 HD13 ' NE1' ' A' ' 672' ' ' TRP . 16.2 tp -79.7 120.58 24.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.449 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 74.6 t -118.31 137.22 52.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.598 ' HB3' HD11 ' A' ' 562' ' ' ILE . 2.1 p -112.89 120.01 39.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.522 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 14.8 mt -100.64 158.04 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 0.0 111.448 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.517 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.2 OUTLIER 175.67 125.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.455 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 41.2 t80 -104.34 131.06 52.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 111.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . 0.435 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -104.09 77.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 552' ' ' THR . 1.1 p -44.04 -35.41 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.434 . . . . 0.0 110.263 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.495 ' HG3' ' HG2' ' A' ' 554' ' ' GLN . 1.2 tp60 -54.31 -56.61 16.82 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.495 ' HG2' ' HG3' ' A' ' 553' ' ' GLN . 1.8 mm-40 -73.71 -15.34 61.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.367 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.78 58.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -160.09 165.15 34.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.729 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.542 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 14.3 tp -89.06 158.91 17.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.664 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.846 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -126.45 124.51 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.922 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 582' ' ' LEU . 2.2 t -114.19 123.16 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.7 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.97 115.45 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.323 -0.942 . . . . 0.0 113.407 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 0.968 HD11 ' CD2' ' A' ' 582' ' ' LEU . 43.4 mm -92.09 94.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.86 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.9 mp -72.84 -75.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.508 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -156.19 177.77 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 112.073 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 567' ' ' LEU . 6.8 p -135.79 159.29 42.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.726 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 543' ' ' LYS . 32.8 m -147.68 145.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 112.42 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.9 t60 67.56 38.88 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.298 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.74 ' O ' HD13 ' A' ' 603' ' ' LEU . 9.6 mt -76.51 156.05 33.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.331 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.457 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -77.17 166.49 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.949 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -120.84 119.58 33.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.496 ' HG3' ' HB2' ' A' ' 639' ' ' ASP . 9.3 mmt -90.97 -23.68 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.619 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -79.59 168.29 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.048 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -81.52 -10.58 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -81.25 -9.42 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.82 8.97 58.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.535 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -119.95 -168.7 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 111.726 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.646 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.9 OUTLIER -158.54 176.52 12.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.372 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.526 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.8 m-20 -122.2 57.31 8.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.606 ' CG ' HD12 ' A' ' 567' ' ' LEU . 37.3 Cg_endo -67.38 141.56 56.7 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 123.392 2.728 . . . . 0.0 115.327 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 11.4 p90 -139.89 162.57 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.119 -1.4 . . . . 0.0 107.545 177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 629' ' ' VAL . 21.6 t -114.47 137.38 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.661 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.592 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.5 mttp -116.99 132.39 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.772 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 0.968 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.81 134.99 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 111.431 -179.282 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.532 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.3 t90 -145.75 118.46 8.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.623 HD11 ' CB ' ' A' ' 623' ' ' LYS . 21.8 tp -91.18 108.11 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.852 0.358 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.49 ' HD3' ' HB2' ' A' ' 583' ' ' TRP . 13.2 mmtp -66.38 153.27 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.541 ' HB3' HD12 ' A' ' 582' ' ' LEU . 3.7 m-70 -153.66 169.96 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 111.469 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.34 127.14 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.254 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.733 HG21 HG21 ' A' ' 561' ' ' ILE . 1.4 p -86.8 164.76 16.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.387 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.529 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 2.7 pt20 -44.65 147.19 0.64 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.097 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.644 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.9 mm -80.26 132.36 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.935 0.398 . . . . 0.0 111.561 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.613 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.97 75.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.997 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.488 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 20.3 mmtp -55.22 145.64 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.085 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.478 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.9 OUTLIER 34.73 75.72 0.05 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.956 179.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.804 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.3 t 179.01 143.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.4 mt -117.79 -11.76 10.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 13.8 m-80 -131.36 47.76 3.13 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.479 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.804 ' HB3' HG21 ' A' ' 602' ' ' THR . 72.0 Cg_endo -75.96 -170.66 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.082 2.521 . . . . 0.0 113.424 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.508 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -137.0 113.75 10.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.177 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.575 ' HB2' HG22 ' A' ' 561' ' ' ILE . 68.4 m-85 -79.9 -58.26 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.195 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 1.5 t-20 55.53 46.4 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.342 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.437 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 13.3 mm-40 -106.61 136.57 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -107.8 115.26 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 28.7 m-85 -98.44 176.72 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.229 0.537 . . . . 0.0 112.071 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.846 ' HD1' HD13 ' A' ' 558' ' ' ILE . 8.3 t80 -150.86 121.94 7.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.331 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.612 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.67 151.91 21.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 65.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.896 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -128.64 143.41 41.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -73.26 132.18 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.537 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 52.3 t-80 -45.13 -47.23 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.025 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 37.7 t -57.58 -15.71 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.896 ' CB ' HD11 ' A' ' 615' ' ' ILE . 5.7 m-20 -105.93 -28.85 10.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.727 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.611 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.35 -67.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.763 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -35.84 -49.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.869 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.622 ' HE2' ' HB3' ' A' ' 621' ' ' ALA . 0.0 OUTLIER -66.85 -22.61 65.98 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.875 0.369 . . . . 0.0 111.579 -179.055 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.771 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.8 mmpt? -69.77 173.88 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.143 0.497 . . . . 0.0 111.364 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 91.0 p -146.73 105.12 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 646' ' ' LEU . 40.6 tp -79.51 114.18 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.058 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -104.49 100.65 10.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 646' ' ' LEU . 2.3 mp -92.04 109.56 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.501 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 85.1 p -115.04 153.43 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 580' ' ' VAL . 25.3 t -127.02 125.41 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.76 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.592 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 35.3 m95 -120.47 143.06 48.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.091 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.82 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.39 106.88 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 0.0 110.352 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.644 ' CD2' HD12 ' A' ' 598' ' ' ILE . 39.7 t80 -59.52 165.6 2.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.105 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 36.9 m-20 -158.77 119.03 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.551 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -78.46 137.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 61.78 15.43 48.16 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 634' ' ' ILE . 0.0 OUTLIER -155.5 -179.01 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.4 OUTLIER -80.95 155.73 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 1.1 m-80 -77.87 -162.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.496 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 28.2 m-20 -159.39 141.15 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.8 OUTLIER -82.99 115.7 21.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.82 HD11 ' HB2' ' A' ' 631' ' ' ASP . 60.6 mt -91.09 -40.5 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 676' ' ' GLN . . . 154.33 169.23 18.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.696 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.15 -179.81 39.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.26 158.88 43.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 7.6 pt20 -109.29 146.72 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.72 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.883 HD11 ' NE2' ' A' ' 673' ' ' HIS . 25.4 mt -137.47 91.63 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.9 145.17 17.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.871 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.946 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.5 tt -59.53 -13.04 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 120.818 0.342 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.7 t -86.07 12.38 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.222 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 646' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.999 0.428 . . . . 0.0 110.552 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.946 HD12 ' HA ' ' A' ' 648' ' ' ILE . 14.9 tp -90.17 -47.56 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.8 mttt -47.41 -66.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.321 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.64 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 14.2 t-160 -55.84 -52.98 62.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -61.15 -77.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.352 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.573 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -46.04 -64.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.271 -179.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.578 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.7 pt-20 -43.62 -31.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 12.7 t -63.18 -42.06 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.763 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -54.0 -30.6 47.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.796 178.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 663' ' ' LYS . 0.0 OUTLIER -81.22 -40.38 23.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.691 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.512 ' OD1' ' CD ' ' A' ' 667' ' ' LYS . 15.9 m-20 -100.11 68.82 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.55 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.537 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.6 OUTLIER -58.57 -79.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.454 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.13 -21.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.911 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.512 ' CD ' ' OD1' ' A' ' 664' ' ' ASN . 0.3 OUTLIER -97.79 131.34 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 0.0 110.791 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -80.37 163.23 24.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.494 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.64 ' CG2' ' CD2' ' A' ' 657' ' ' HIS . 1.0 OUTLIER -137.98 117.67 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.696 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.543 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 13.6 mp0 -108.39 131.71 54.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.391 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.424 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 0.2 OUTLIER -152.09 161.52 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.468 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.967 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.5 m95 -103.14 134.16 47.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.743 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.883 ' NE2' HD11 ' A' ' 646' ' ' LEU . 90.7 m-70 -120.43 129.36 53.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.528 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 68.0 mt-30 -75.84 120.18 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.626 HD12 ' N ' ' A' ' 542' ' ' GLY . 97.7 mt -55.04 127.8 30.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.519 . . . . 0.0 111.527 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 677' ' ' ASN . 1.8 pt20 -106.79 -179.47 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.031 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . 0.534 ' N ' ' HG3' ' A' ' 676' ' ' GLN . 3.3 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.577 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.227 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 139.05 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.701 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.509 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -117.79 124.53 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.453 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.938 ' HG ' HD13 ' A' ' 562' ' ' ILE . 15.9 tp -79.64 122.52 26.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.641 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 627' ' ' ILE . 52.7 t -120.96 137.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.1 p -114.2 114.32 25.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.311 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 669' ' ' ILE . 7.0 mt -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.043 0.449 . . . . 0.0 111.348 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 558' ' ' ILE . 3.4 tmm? -179.53 136.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.7 t80 -112.31 132.45 54.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.975 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . 0.484 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -103.65 87.41 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.597 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -54.7 -38.5 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.051 0.453 . . . . 0.0 110.129 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.489 ' NE2' ' OG1' ' A' ' 552' ' ' THR . 0.0 OUTLIER -47.44 -45.45 25.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.953 179.321 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -90.83 -19.63 23.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.527 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 77.97 38.34 26.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.529 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -147.65 171.03 28.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.632 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 558' ' ' ILE . 9.2 tp -96.26 161.48 13.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 110.697 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.847 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -131.35 132.06 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.205 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.885 HG11 HD22 ' A' ' 582' ' ' LEU . 2.8 t -121.22 121.3 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.623 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.14 114.07 3.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.447 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 0.957 HD11 ' CD2' ' A' ' 582' ' ' LEU . 28.0 mm -93.32 97.1 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.9 mp -75.81 -75.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.8 OUTLIER -160.62 173.29 15.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 112.007 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.0 OUTLIER -128.52 160.95 30.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.802 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 30.6 m -147.27 145.69 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.313 0.578 . . . . 0.0 112.548 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.533 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.28 51.37 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.675 179.199 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.707 ' O ' HD13 ' A' ' 603' ' ' LEU . 35.3 mt -89.13 142.1 27.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.815 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -71.29 152.98 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.368 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.562 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -112.27 108.73 18.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.495 ' HE1' HG12 ' A' ' 641' ' ' ILE . 3.1 mtm -85.53 -24.76 27.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.921 0.391 . . . . 0.0 110.988 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.3 156.12 35.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -75.11 1.46 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.28 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -91.9 -9.28 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.836 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.483 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.19 -0.76 64.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.248 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.562 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -123.26 -169.36 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.979 0.419 . . . . 0.0 111.823 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.462 ' C ' ' HD3' ' A' ' 578' ' ' PRO . 0.4 OUTLIER -149.55 170.38 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.971 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 45.0 m-20 -115.9 64.25 2.4 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.569 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 37.1 Cg_endo -67.21 135.66 37.84 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 123.088 2.525 . . . . 0.0 115.681 -177.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.623 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 35.3 p90 -144.36 161.01 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.156 176.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 629' ' ' VAL . 42.5 t -117.03 136.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 119.707 -0.797 . . . . 0.0 113.121 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.606 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 6.3 mttt -115.96 133.25 56.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.5 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 0.957 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.7 135.46 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.814 0.34 . . . . 0.0 111.405 -179.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.592 ' CE3' ' HE3' ' A' ' 593' ' ' LYS . 5.6 t90 -144.44 121.26 11.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.995 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 623' ' ' LYS . 16.3 tp -96.89 109.48 22.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.2 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.393 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 CA--C 1.522 -0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.592 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 7.9 mmtm -83.65 157.98 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.76 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.3 m-70 -153.99 170.82 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 111.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.16 119.78 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.426 179.483 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.912 HG21 HG21 ' A' ' 561' ' ' ILE . 8.1 p -74.03 164.24 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.796 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -49.19 140.5 9.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.426 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.788 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.0 mm -81.18 119.52 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.869 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.28 60.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.057 0.456 . . . . 0.0 110.261 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.532 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.1 OUTLIER -48.88 138.23 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -179.434 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.507 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 68.81 63.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.115 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.873 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.1 t 178.71 149.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 567' ' ' LEU . 19.6 mt -119.63 -13.21 9.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -133.79 52.19 7.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.873 ' HB3' HG21 ' A' ' 602' ' ' THR . 96.1 Cg_endo -78.32 179.84 6.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 123.002 2.468 . . . . 0.0 112.961 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 25.3 tt0 -128.24 118.88 24.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.396 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 562' ' ' ILE . 51.8 m-85 -87.03 -61.37 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 561' ' ' ILE . 2.1 t-20 56.4 45.97 21.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.255 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.525 ' OE1' ' CG2' ' A' ' 558' ' ' ILE . 0.2 OUTLIER -103.41 121.53 42.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.437 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.559 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 30.1 m-85 -102.61 178.46 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.008 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.847 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.6 t80 -150.73 121.89 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.461 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.3 m-85 -101.7 154.18 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.533 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -109.08 65.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.882 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -131.57 139.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.735 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -72.21 131.27 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.456 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.0 t-80 -41.51 -51.71 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.0 m -52.24 -19.42 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.882 ' CB ' HD11 ' A' ' 615' ' ' ILE . 61.4 m-20 -102.43 -30.36 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.716 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.3 -66.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.646 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.814 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.91 -48.18 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.478 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.95 -17.31 64.58 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.186 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.811 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.0 mmpt? -74.0 -177.33 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.374 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.14 102.99 1.45 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.982 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 18.8 tp -79.39 138.15 37.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.129 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.59 95.56 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.591 HD11 HD12 ' A' ' 646' ' ' LEU . 1.4 mp -90.69 104.31 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.487 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.0 m -117.96 143.56 46.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.796 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 580' ' ' VAL . 14.9 t -111.92 136.54 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.286 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.623 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 47.9 m95 -128.51 148.62 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.312 . . . . 0.0 111.832 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.524 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.8 OUTLIER -87.83 93.99 9.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.118 0.485 . . . . 0.0 109.868 178.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.788 ' CG ' HG21 ' A' ' 598' ' ' ILE . 26.7 t80 -53.23 162.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.5 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -159.3 124.37 4.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.71 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.701 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -85.72 138.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.99 -13.94 41.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.669 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 -166.71 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.021 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -79.64 173.15 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -89.66 -161.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 631' ' ' ASP . 16.3 m-20 -156.05 142.84 18.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.562 ' HA ' ' CE3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -87.06 114.57 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' A' ' 631' ' ' ASP . 31.1 mt -91.02 -37.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 147.27 166.94 12.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -165.17 -164.0 19.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.608 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 4.8 p -160.59 143.29 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.494 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 51.9 mt-30 -91.81 148.61 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.591 HD12 HD11 ' A' ' 627' ' ' ILE . 15.3 mt -137.5 84.7 2.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.192 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -128.88 145.47 16.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.63 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.962 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.3 tt -62.57 -10.88 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.0 111.437 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.8 t -92.51 16.5 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.913 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.157 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.292 -179.603 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.6 mtt-85 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.841 0.353 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 648' ' ' ILE . 11.5 tp -73.12 -45.85 54.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 8.1 mttm -49.86 -62.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.641 ' CD2' HG21 ' A' ' 669' ' ' ILE . 10.9 t-160 -59.32 -52.96 63.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 59.8 t-105 -59.24 -78.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.264 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.11 -61.37 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.914 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.549 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 12.8 pt-20 -41.98 -34.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 40.8 t -58.39 -41.53 85.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.167 0.508 . . . . 0.0 109.732 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.814 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -58.12 -32.05 67.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.069 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -81.41 -42.64 20.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.509 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 80.3 m-20 -101.15 66.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.468 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.597 ' HD3' HG22 ' A' ' 552' ' ' THR . 15.8 mttt -65.46 -73.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.375 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -20.6 0.55 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.615 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -97.5 136.24 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.4 OUTLIER -79.99 142.76 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.4 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.641 HG21 ' CD2' ' A' ' 657' ' ' HIS . 1.1 mt -111.18 158.12 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.341 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.503 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 11.8 mt-10 -159.34 125.25 4.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.429 ' O ' HD12 ' A' ' 545' ' ' LEU . 6.1 mmm180 -153.19 165.44 35.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.625 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.934 ' NE1' HD13 ' A' ' 545' ' ' LEU . 80.3 m95 -104.56 132.67 50.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.667 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.539 ' NE2' HD11 ' A' ' 646' ' ' LEU . 54.5 m-70 -116.73 129.56 56.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -76.88 105.08 7.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.254 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 567' ' ' LEU . 92.4 mt -40.92 128.17 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.1 mt-30 -125.37 159.8 30.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.794 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.62 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.449 -0.465 0 CA-C-O 120.84 0.133 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 674' ' ' GLN . 0.1 OUTLIER -129.27 145.33 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.58 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -119.23 128.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.037 0.446 . . . . 0.0 111.825 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.926 ' HG ' HD13 ' A' ' 562' ' ' ILE . 17.8 tp -79.65 112.39 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.476 HG23 HG23 ' A' ' 544' ' ' ILE . 54.1 t -111.33 130.12 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.082 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.944 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.3 p -114.57 111.87 22.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.624 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 669' ' ' ILE . 41.6 mt -94.37 164.76 12.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.1 0.476 . . . . 0.0 111.256 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.2 ttt 176.51 123.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.575 ' CE1' ' HG ' ' A' ' 620' ' ' LEU . 50.1 t80 -102.45 130.35 49.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.026 0.441 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.61 82.78 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.468 HG22 ' HD2' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -50.62 -33.48 22.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.51 . . . . 0.0 109.907 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.453 ' NE2' ' H ' ' A' ' 553' ' ' GLN . 1.6 mp0 -52.38 -49.77 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.664 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -85.54 -15.56 42.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.983 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 73.79 40.4 45.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.396 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.53 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -152.02 173.85 31.14 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.435 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.605 HD12 ' H ' ' A' ' 558' ' ' ILE . 8.6 tp -98.33 160.82 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.83 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -131.95 119.72 41.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.799 HG11 HD22 ' A' ' 582' ' ' LEU . 2.1 t -106.65 120.69 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -110.56 117.4 4.64 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.369 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 0.845 HD11 HD21 ' A' ' 582' ' ' LEU . 10.4 mm -96.57 95.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.944 HD11 ' HB3' ' A' ' 547' ' ' SER . 1.9 mp -73.13 -71.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.6 OUTLIER -160.49 176.56 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 112.008 -179.066 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.62 ' SG ' HD11 ' A' ' 567' ' ' LEU . 4.6 p -133.54 159.79 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.812 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 28.0 m -147.2 144.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.328 0.585 . . . . 0.0 112.565 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.534 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.7 OUTLIER 63.73 44.98 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.608 179.125 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.697 ' O ' HD13 ' A' ' 603' ' ' LEU . 14.9 mt -81.1 157.01 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.881 0.372 . . . . 0.0 111.25 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -76.98 159.11 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.014 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.502 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.19 118.49 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.241 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.49 ' N ' ' OG ' ' A' ' 576' ' ' SER . 11.2 mmt -86.5 -22.14 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.666 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -89.26 157.58 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.39 -3.25 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.75 -11.74 56.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.782 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.502 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.5 7.38 59.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.598 ' C ' HD21 ' A' ' 603' ' ' LEU . 2.9 m-85 -120.89 -168.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 111.702 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.765 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.8 OUTLIER -160.24 177.31 10.78 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.136 0.494 . . . . 0.0 111.417 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.552 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.5 m-20 -122.77 57.93 10.58 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.174 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.709 ' HB3' HD12 ' A' ' 641' ' ' ILE . 35.2 Cg_endo -66.27 138.05 49.78 Favored 'Trans proline' 0 C--O 1.23 0.099 0 C-N-CA 123.283 2.655 . . . . 0.0 115.015 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 12.8 p90 -136.42 161.58 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.326 -1.307 . . . . 0.0 107.785 177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 629' ' ' VAL . 22.0 t -116.25 128.34 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 119.962 -0.695 . . . . 0.0 112.501 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 0.1 OUTLIER -111.42 135.98 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.806 179.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 0.845 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.13 136.66 53.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 0.0 111.736 -179.118 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.529 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.0 t90 -143.05 115.86 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.926 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.4 tp -93.35 121.42 34.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.053 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 5.3 mttm . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.801 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.867 0.365 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 2.8 mttt -84.51 158.26 21.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.667 ' HB2' HD12 ' A' ' 582' ' ' LEU . 17.9 m-70 -153.36 174.43 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.539 . . . . 0.0 111.694 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.1 OUTLIER -161.14 115.33 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.916 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.4 p -72.98 156.9 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.254 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -40.05 144.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.674 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.9 mm -76.97 123.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.603 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -93.54 68.14 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.7 178.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 1.5 mttt -65.33 137.93 57.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.026 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.505 ' O ' ' HB ' ' A' ' 602' ' ' THR . 27.4 mmtt 64.85 57.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.962 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.804 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.0 t 179.0 145.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 111.375 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.765 HD21 ' N ' ' A' ' 576' ' ' SER . 10.8 mt -118.72 -11.39 9.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.78 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 58.9 m-80 -131.27 47.85 3.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.409 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.804 ' HB3' HG21 ' A' ' 602' ' ' THR . 79.8 Cg_endo -77.11 -172.64 1.5 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.025 2.483 . . . . 0.0 113.432 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.6 mt-10 -132.32 114.96 15.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.096 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.822 ' CB ' HG22 ' A' ' 561' ' ' ILE . 75.0 m-85 -80.03 -57.28 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.654 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.1 t30 52.45 46.8 26.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.004 0.43 . . . . 0.0 110.066 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 12.6 mm-40 -106.43 133.53 50.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.065 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 610' ' ' GLU . 0.2 OUTLIER -110.19 111.11 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 45.5 m-85 -94.58 171.43 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.162 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.83 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.3 t80 -143.58 121.31 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.561 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.612 ' HE1' HG21 ' A' ' 559' ' ' VAL . 7.5 m-85 -102.95 153.3 20.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -108.91 67.9 0.67 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.873 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.7 OUTLIER -135.97 136.15 49.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.46 141.14 54.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.289 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.592 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 56.4 t-80 -50.15 -45.61 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.975 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -23.52 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.873 ' CB ' HD11 ' A' ' 615' ' ' ILE . 0.9 OUTLIER -103.88 -31.16 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.749 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.692 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.76 -66.68 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.536 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.791 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.42 -54.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.484 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -62.56 -15.66 52.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.391 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.808 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.4 mmpt? -70.93 176.93 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.48 102.39 2.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.432 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 582' ' ' LEU . 58.8 tp -79.94 128.19 33.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.214 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -110.14 96.21 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.661 HD11 HD12 ' A' ' 646' ' ' LEU . 1.7 mp -92.2 100.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.755 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 58.0 p -113.08 136.99 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.126 0.488 . . . . 0.0 111.717 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 580' ' ' VAL . 22.0 t -107.32 123.71 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.32 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.8 m95 -123.75 148.62 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.408 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.728 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -85.17 113.93 21.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.002 0.429 . . . . 0.0 109.947 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.766 ' HE1' HG23 ' A' ' 634' ' ' ILE . 49.7 t80 -70.88 166.79 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.392 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.4 m-20 -160.03 126.49 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.588 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.766 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.94 133.25 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 70.36 3.15 45.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.378 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -162.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 110.82 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.42 137.55 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.401 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 6.6 p-10 -55.9 -166.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 631' ' ' ASP . 3.3 m-20 -157.56 145.0 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -84.27 119.14 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.728 HD11 ' HB2' ' A' ' 631' ' ' ASP . 18.2 mt -97.7 -42.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.613 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 153.07 158.79 8.71 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.486 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.54 -165.87 16.6 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.71 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -164.55 145.16 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.499 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 2.1 mt-30 -91.2 149.61 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.682 HD21 ' CE1' ' A' ' 673' ' ' HIS . 15.7 mt -138.14 88.03 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 111.312 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -132.83 143.81 15.58 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.948 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.4 tt -61.49 -12.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-O 121.007 0.432 . . . . 0.0 111.403 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -89.23 15.57 8.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.217 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.285 -179.686 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.934 0.397 . . . . 0.0 110.682 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.948 HD12 ' HA ' ' A' ' 648' ' ' ILE . 12.2 tp -84.76 -43.61 14.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.138 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 3.6 mttp -49.63 -61.13 2.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.551 ' CD2' HG22 ' A' ' 669' ' ' ILE . 12.7 t-160 -64.17 -55.82 19.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 53.8 t-105 -52.77 -70.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.263 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.654 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -50.0 -61.35 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.077 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 17.4 pt-20 -43.54 -27.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.497 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.489 ' SG ' ' CB ' ' A' ' 548' ' ' LEU . 3.5 t -66.63 -42.5 86.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.791 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -56.58 -27.69 58.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.309 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 660' ' ' GLU . 0.4 OUTLIER -79.2 -43.59 23.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.852 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.484 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -103.02 49.15 0.84 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.704 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.592 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 7.0 mtmt -47.36 -63.39 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.337 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.61 -11.78 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.804 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -106.8 147.75 29.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.501 ' HG2' ' N ' ' A' ' 669' ' ' ILE . 1.5 ttpt -80.58 145.69 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.264 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.2 mt -136.28 122.86 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.483 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.7 OUTLIER -129.55 152.1 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 111.716 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.537 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.06 160.64 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.572 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.865 ' CE2' HD13 ' A' ' 545' ' ' LEU . 90.4 m95 -93.04 132.89 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.4 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.682 ' CE1' HD21 ' A' ' 646' ' ' LEU . 77.2 m-70 -113.84 131.08 56.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' A' ' 543' ' ' LYS . 0.5 OUTLIER -79.54 108.09 12.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.612 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 642' ' ' GLY . 64.6 mt -52.55 136.76 31.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.359 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 2.0 mt-30 -118.86 163.65 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.534 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.906 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER -135.39 135.8 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -111.66 129.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.426 . . . . 0.0 111.392 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.934 ' HG ' HD13 ' A' ' 562' ' ' ILE . 15.8 tp -80.98 116.06 20.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 544' ' ' ILE . 54.4 t -115.98 130.64 70.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.287 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.794 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.3 p -115.03 117.32 30.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.4 mt -100.16 164.56 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.407 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.527 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.2 tmm? 174.34 127.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.467 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 557' ' ' LEU . 49.2 t80 -107.9 131.88 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.86 0.362 . . . . 0.0 110.744 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.6 t -99.97 80.67 2.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.131 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 553' ' ' GLN . 1.3 p -52.19 -41.23 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 552' ' ' THR . 0.0 OUTLIER -38.54 -41.79 0.7 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 555' ' ' GLY . 0.0 OUTLIER -99.17 -39.59 8.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.035 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . 0.509 ' N ' ' HG3' ' A' ' 554' ' ' GLN . . . 104.92 31.3 4.5 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.567 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.481 ' C ' ' CE2' ' A' ' 550' ' ' TYR . . . -133.11 163.27 24.3 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.815 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.523 ' HA ' ' CD2' ' A' ' 550' ' ' TYR . 11.7 tp -94.69 156.24 16.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.398 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.919 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.0 OUTLIER -129.12 128.92 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.025 0.44 . . . . 0.0 110.972 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.8 t -118.28 121.2 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.639 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -113.39 117.69 4.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.428 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 0.922 HD11 HD21 ' A' ' 582' ' ' LEU . 7.4 mm -97.44 95.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.934 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mp -70.34 -71.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.11 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.508 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -164.67 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 112.081 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.627 ' SG ' HD11 ' A' ' 567' ' ' LEU . 4.1 p -131.18 159.97 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.724 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 31.2 m -145.35 146.37 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.241 0.543 . . . . 0.0 112.329 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 57.57 55.63 5.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.425 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.761 ' O ' HD13 ' A' ' 603' ' ' LEU . 26.9 mt -89.53 149.52 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.773 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -73.3 148.65 43.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.396 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.606 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -113.81 109.83 19.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.636 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.3 mtm -86.04 -25.56 25.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.984 0.421 . . . . 0.0 110.765 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.17 150.53 48.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.615 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.9 -6.85 23.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -83.33 -10.37 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.98 4.82 64.65 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.222 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.606 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -124.85 -169.2 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.932 0.396 . . . . 0.0 111.795 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 0.6 OUTLIER -152.7 176.56 11.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.154 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.541 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 3.5 m-20 -123.63 62.02 23.54 Favored Pre-proline 0 N--CA 1.463 0.196 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.684 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.6 Cg_endo -68.17 144.07 61.66 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.15 2.566 . . . . 0.0 115.289 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 581' ' ' LYS . 19.7 p90 -144.73 162.02 37.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.399 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.613 HG22 HG22 ' A' ' 629' ' ' VAL . 24.4 t -114.62 129.08 71.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 119.756 -0.778 . . . . 0.0 112.851 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.635 ' CD ' ' CD1' ' A' ' 630' ' ' TRP . 0.1 OUTLIER -111.56 130.09 55.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.526 178.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -124.71 133.84 53.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.595 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 5.6 t90 -141.32 116.35 9.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 623' ' ' LYS . 6.8 tp -95.52 120.71 36.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.584 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.756 0.312 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.595 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.0 OUTLIER -92.51 164.69 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.835 ' HB2' HD12 ' A' ' 582' ' ' LEU . 22.7 m-70 -160.57 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.526 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.532 ' HG3' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -160.05 110.68 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.677 HG21 HG21 ' A' ' 561' ' ' ILE . 10.9 p -65.26 150.16 48.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.965 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 596' ' ' THR . 3.3 mt-30 -38.91 139.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.821 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.7 mm -75.89 119.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -96.82 74.82 2.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.588 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -64.73 139.11 58.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.442 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 65.76 61.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.747 179.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.86 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.8 t -178.93 147.69 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 111.216 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 567' ' ' LEU . 16.7 mt -119.46 -12.58 9.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.887 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.5 OUTLIER -132.76 49.64 4.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.431 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.86 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.2 Cg_endo -75.7 -176.99 3.27 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 123.05 2.5 . . . . 0.0 112.976 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.508 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.5 tm-20 -127.28 121.26 30.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.404 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.558 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 60.0 m-85 -87.03 -58.33 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.224 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 561' ' ' ILE . 39.8 t30 49.21 46.13 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.299 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.31 121.67 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.388 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -97.21 114.44 26.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 46.1 m-85 -96.81 178.67 5.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.228 0.537 . . . . 0.0 111.717 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.919 ' HD1' HD13 ' A' ' 558' ' ' ILE . 14.1 t80 -152.44 129.2 10.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.657 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 8.8 m-85 -108.07 156.76 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.62 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.05 58.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.084 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.896 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -121.11 142.41 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 615' ' ' ILE . 24.2 mttt -76.33 132.03 39.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.478 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.541 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 56.5 t-80 -42.66 -46.44 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 13.7 m -53.1 -24.46 10.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.896 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.7 m-20 -101.57 -27.99 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.769 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -35.44 -67.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 179.548 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.768 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.82 -57.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.772 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -62.34 -18.74 62.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.589 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.799 ' HD2' HD13 ' A' ' 615' ' ' ILE . 11.4 mmpt? -64.18 170.93 3.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.107 0.48 . . . . 0.0 111.22 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 79.1 p -151.65 102.87 2.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.394 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 646' ' ' LEU . 38.0 tp -85.91 123.28 31.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.095 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 645' ' ' GLN . 14.7 t0 -107.28 100.38 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 646' ' ' LEU . 3.2 mp -92.54 101.33 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.497 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.5 m -115.96 132.65 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.613 HG22 HG22 ' A' ' 580' ' ' VAL . 10.1 t -102.33 126.13 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.041 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.635 ' CD1' ' CD ' ' A' ' 581' ' ' LYS . 34.5 m95 -124.4 149.65 46.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.966 0.412 . . . . 0.0 111.829 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.551 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.7 OUTLIER -84.88 111.91 20.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.13 179.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.821 ' CD2' HD12 ' A' ' 598' ' ' ILE . 28.8 t80 -74.54 164.65 26.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.316 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 19.6 m-20 -160.03 127.59 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.507 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -79.12 137.21 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . 0.45 ' O ' ' HD3' ' A' ' 636' ' ' LYS . . . 73.23 -1.23 43.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.833 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' ' 635' ' ' GLY . 8.9 mmtm -138.59 -173.64 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.0 OUTLIER -80.05 -169.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 638' ' ' ASN . 0.0 OUTLIER -105.92 176.2 5.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 74.5 m-20 -135.55 145.71 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.682 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.601 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.52 110.09 20.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 111.038 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.636 HG12 ' HE1' ' A' ' 570' ' ' MET . 54.2 mt -88.35 -38.79 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.532 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 153.55 165.34 13.49 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.058 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.97 -167.51 27.76 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.016 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.48 147.11 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.597 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 0.5 OUTLIER -94.84 163.54 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.621 HD11 ' NE2' ' A' ' 673' ' ' HIS . 38.5 mt -150.38 88.45 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.072 0.463 . . . . 0.0 111.479 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.59 144.58 15.7 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.909 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.3 tt -56.64 -15.8 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.982 0.391 . . . . 0.0 111.695 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 3.4 t -77.89 1.26 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.319 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.544 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.333 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.544 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.957 0.408 . . . . 0.0 110.762 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 648' ' ' ILE . 23.1 tp -86.32 -46.25 10.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.527 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 10.1 pttt -56.05 -52.76 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.611 ' CD2' HG22 ' A' ' 669' ' ' ILE . 6.0 t-160 -62.53 -59.28 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.202 0.525 . . . . 0.0 110.584 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.7 t-105 -59.25 -82.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.239 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.909 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.98 -64.4 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.645 -179.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.613 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 3.3 pt-20 -44.91 -33.56 2.03 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.932 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 21.4 t -58.82 -42.42 89.16 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.768 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -55.85 -29.64 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.05 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -83.04 -40.27 20.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.005 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.483 ' OD1' ' HE3' ' A' ' 667' ' ' LYS . 7.5 m-20 -98.27 42.17 1.1 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.541 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.1 OUTLIER -46.19 -65.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.053 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -58.39 -14.91 8.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 549' ' ' MET . 8.4 mtmt -102.65 151.55 22.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.726 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.481 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -90.83 149.36 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.076 0.465 . . . . 0.0 111.348 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.613 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -137.65 120.96 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 18.6 pm0 -129.99 148.63 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.596 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -166.74 163.22 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.917 ' CE2' HD13 ' A' ' 545' ' ' LEU . 88.2 m95 -96.28 131.58 42.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.073 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.621 ' NE2' HD11 ' A' ' 646' ' ' LEU . 38.7 m-70 -109.72 132.07 54.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.5 100.23 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.04 0.448 . . . . 0.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.532 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 91.1 mt -44.67 128.77 6.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.581 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 1.1 mt-30 -120.78 175.92 5.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.555 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.417 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.498 ' HD3' ' CG2' ' A' ' 565' ' ' VAL . 0.1 OUTLIER -135.34 141.34 45.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 0.0 110.572 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -118.54 126.7 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.967 0.413 . . . . 0.0 111.466 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.917 HD13 ' CE2' ' A' ' 672' ' ' TRP . 15.5 tp -79.89 120.15 23.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.727 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.68 130.66 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.692 ' HB3' HD11 ' A' ' 562' ' ' ILE . 62.4 p -114.89 105.62 13.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 669' ' ' ILE . 30.6 mt -85.79 162.47 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.386 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.521 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.6 OUTLIER 175.35 123.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.32 179.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.479 ' HB3' ' HG2' ' A' ' 665' ' ' LYS . 45.1 t80 -100.17 128.86 46.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 111.241 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.56 77.99 1.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.822 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.406 ' H ' HG23 ' A' ' 552' ' ' THR . 1.5 p -44.7 -42.75 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 109.989 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -46.55 59.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.041 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -82.14 -18.97 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.66 34.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.534 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -159.45 166.2 34.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.7 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.558 ' HB2' HD11 ' A' ' 620' ' ' LEU . 9.1 tp -90.28 159.29 16.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.325 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.833 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -129.72 119.64 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.188 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.768 HG11 HD22 ' A' ' 582' ' ' LEU . 2.1 t -105.58 117.72 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.473 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -104.0 106.6 2.82 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.727 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 0.952 HD11 ' CD2' ' A' ' 582' ' ' LEU . 32.7 mm -87.62 91.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.768 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -71.28 -77.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.538 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 4.5 ptp180 -159.14 168.09 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 111.854 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.653 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.9 OUTLIER -123.08 161.4 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.009 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . 0.498 ' CG2' ' HD3' ' A' ' 543' ' ' LYS . 22.5 m -145.61 149.85 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.231 0.539 . . . . 0.0 112.167 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.519 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 2.2 t-80 55.5 48.58 18.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.306 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.998 ' O ' HD13 ' A' ' 603' ' ' LEU . 28.2 mt -83.2 144.09 30.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.761 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.14 150.08 47.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.465 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.632 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -115.92 109.15 17.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.023 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.634 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.9 mtm -86.89 -22.06 25.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 110.861 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.31 150.17 46.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.553 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.19 -7.19 21.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.279 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -83.44 -10.04 58.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.72 5.0 65.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.226 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.612 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.81 -169.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 111.878 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.607 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.6 OUTLIER -153.41 170.1 21.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.126 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 46.5 m-20 -117.81 59.89 3.22 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 41.5 Cg_endo -68.2 142.75 56.56 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.386 2.724 . . . . 0.0 115.752 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.647 ' CE2' ' CE ' ' A' ' 581' ' ' LYS . 13.5 p90 -141.92 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.367 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.664 HG22 HG22 ' A' ' 629' ' ' VAL . 28.2 t -112.62 134.84 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.829 -0.749 . . . . 0.0 112.477 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.647 ' CE ' ' CE2' ' A' ' 579' ' ' PHE . 2.6 mttp -115.83 134.66 54.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.922 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 0.952 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.9 136.78 53.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.009 0.433 . . . . 0.0 111.477 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.587 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.8 t90 -145.55 118.08 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.953 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.5 tp -94.4 110.47 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.983 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 583' ' ' TRP . 5.5 mttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.175 0 CA-C-O 120.919 0.39 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.587 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.7 mmtp -70.39 155.73 40.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.584 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 14.9 m-70 -156.0 166.44 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 111.373 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.538 ' CG ' ' HD3' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.38 110.6 2.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.883 HG21 HG21 ' A' ' 561' ' ' ILE . 7.3 p -68.01 157.14 35.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.506 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 1.1 pt20 -40.36 151.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.192 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.539 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.4 mm -84.89 121.43 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.334 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.585 ' O ' HG22 ' A' ' 602' ' ' THR . 2.1 mmpt? -90.31 76.29 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.105 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 632' ' ' TYR . 8.4 mmtm -53.8 146.52 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.15 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 33.39 73.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.371 179.155 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.751 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.7 t -177.67 144.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.763 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.6 mt -118.68 -12.56 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 2.7 m-80 -127.85 46.91 2.31 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.751 ' HB3' HG21 ' A' ' 602' ' ' THR . 87.1 Cg_endo -78.26 178.55 7.45 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.863 2.376 . . . . 0.0 113.15 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.538 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 22.6 tt0 -130.76 113.73 14.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 562' ' ' ILE . 66.0 m-85 -79.65 -56.69 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 23.6 t-20 55.46 46.04 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.044 0.449 . . . . 0.0 110.06 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.29 120.16 41.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.337 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.66 106.04 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.438 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 558' ' ' ILE . 19.8 m-85 -86.84 171.53 10.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.829 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.833 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.2 t80 -144.45 122.83 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.38 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.657 ' HE1' HG21 ' A' ' 559' ' ' VAL . 7.2 m-85 -103.0 152.25 21.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -106.07 65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.891 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -134.78 139.7 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.599 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.422 ' HA ' ' OH ' ' A' ' 550' ' ' TYR . 1.7 mmmp? -74.74 136.07 41.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.588 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 55.9 t-80 -43.55 -51.24 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.7 m -49.01 -22.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.891 ' CB ' HD11 ' A' ' 615' ' ' ILE . 8.4 m-20 -104.45 -30.81 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.814 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.675 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.7 -67.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.616 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.77 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.14 -55.55 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.818 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -62.96 -17.37 61.92 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.303 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.836 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.2 mmpt? -67.84 178.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 111.066 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.6 p -153.88 103.0 2.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.399 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 646' ' ' LEU . 33.1 tp -80.4 140.45 36.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.936 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 2.9 t70 -124.5 97.71 5.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -92.11 96.8 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 53.6 p -111.98 131.35 55.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.444 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.664 HG22 HG22 ' A' ' 580' ' ' VAL . 10.5 t -104.0 127.16 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.188 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.591 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 44.1 m95 -123.22 147.56 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.422 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.82 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.2 OUTLIER -86.25 110.69 19.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.76 ' HE1' HG23 ' A' ' 634' ' ' ILE . 30.0 t80 -61.6 164.05 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.1 OUTLIER -159.31 128.44 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.76 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.55 141.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.7 -3.83 54.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -167.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 0.1 OUTLIER -80.02 -174.91 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 -166.1 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 631' ' ' ASP . 21.1 m-20 -147.31 144.92 29.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.92 108.5 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.82 HD11 ' HB2' ' A' ' 631' ' ' ASP . 67.3 mt -87.39 -39.98 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.59 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.35 165.4 12.89 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -170.13 -160.21 17.9 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.581 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.61 154.28 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.49 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 5.9 mt-30 -97.73 157.2 16.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 627' ' ' ILE . 26.1 mt -143.69 93.55 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.244 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.44 141.56 11.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.106 -0.568 . . . . 0.0 111.744 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.856 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.0 OUTLIER -57.2 -13.79 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.149 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 2.9 t -88.03 15.63 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 109.962 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.533 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.355 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.533 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.971 0.415 . . . . 0.0 110.641 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.0 tp -90.28 -52.3 5.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 11.4 mttm -48.86 -62.69 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.259 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.613 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 5.6 t-80 -54.2 -56.36 19.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 0.0 110.586 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -60.4 -78.43 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.189 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.823 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -42.29 -64.93 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.393 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.579 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -44.33 -30.57 0.85 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.092 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 8.0 t -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.77 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -58.45 -25.55 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.23 178.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -44.04 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.076 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 1.9 m-20 -100.58 39.38 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.588 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -37.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.2 -22.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 549' ' ' MET . 17.8 mmtm -94.69 142.48 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 0.0 110.77 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.457 ' HE3' ' HB3' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -79.57 137.43 37.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 111.126 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.587 HG22 ' CD2' ' A' ' 657' ' ' HIS . 0.8 OUTLIER -123.78 114.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.478 179.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.2 OUTLIER -120.51 150.01 41.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 111.608 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.613 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -172.11 145.63 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.919 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.917 ' CE2' HD13 ' A' ' 545' ' ' LEU . 92.1 m95 -81.33 131.36 35.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.406 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.647 ' NE2' HD11 ' A' ' 646' ' ' LEU . 78.7 m-70 -110.84 130.48 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.36 107.68 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 642' ' ' GLY . 90.0 mt -49.93 129.32 20.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.182 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -117.79 164.9 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.807 -0.117 . . . . 0.0 112.807 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 674' ' ' GLN . 6.6 mtmm -132.74 139.94 47.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.656 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -117.74 127.8 75.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.994 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.3 tp -80.27 131.11 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.562 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 50.7 t -130.46 135.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.533 ' HB3' HD11 ' A' ' 562' ' ' ILE . 26.3 p -115.48 111.15 20.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.397 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 658' ' ' TRP . 16.1 mt -91.45 164.22 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.936 0.398 . . . . 0.0 111.43 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 558' ' ' ILE . 0.8 OUTLIER 175.38 138.16 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.034 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.715 ' HB3' ' HZ2' ' A' ' 665' ' ' LYS . 46.1 t80 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 111.223 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.28 82.55 2.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.0 OUTLIER -50.38 -33.2 19.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.311 0.577 . . . . 0.0 109.843 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.442 ' NE2' ' H ' ' A' ' 553' ' ' GLN . 1.8 mp0 -56.38 -48.15 77.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.687 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 612' ' ' PHE . 21.4 mt-30 -83.49 -16.25 46.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.933 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.57 40.36 54.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.446 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.68 166.8 32.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.61 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.538 ' HA ' ' CD1' ' A' ' 550' ' ' TYR . 12.5 tp -92.77 159.27 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.856 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -128.01 123.77 61.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.002 0.429 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.797 HG11 HD22 ' A' ' 582' ' ' LEU . 4.9 t -112.85 119.41 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -109.87 122.24 6.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.597 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.024 HD11 HD21 ' A' ' 582' ' ' LEU . 33.4 mm -102.57 97.71 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.949 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.8 mp -73.81 -75.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.494 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.4 OUTLIER -159.55 172.41 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 111.92 -179.088 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 567' ' ' LEU . 2.3 p -128.69 159.64 34.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.042 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 34.1 m -142.17 145.53 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.518 . . . . 0.0 112.348 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.68 56.34 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.318 179.541 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.935 ' O ' HD13 ' A' ' 603' ' ' LEU . 47.1 mt -88.93 151.13 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.38 155.11 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.41 118.2 36.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.495 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -85.9 -21.07 28.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.94 162.92 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.2 -5.21 48.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -11.09 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.746 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.81 6.44 59.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.569 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -120.93 -168.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.785 0.326 . . . . 0.0 111.747 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.525 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.5 OUTLIER -158.2 175.94 13.12 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.063 0.458 . . . . 0.0 111.639 -179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 6.2 m-20 -119.98 58.07 5.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.649 ' HB3' HD12 ' A' ' 641' ' ' ILE . 37.4 Cg_endo -67.27 146.05 74.27 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 123.489 2.793 . . . . 0.0 115.473 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.566 ' CE2' ' HD2' ' A' ' 581' ' ' LYS . 16.1 p90 -145.4 159.93 42.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.804 -1.544 . . . . 0.0 107.756 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.577 ' O ' HG23 ' A' ' 596' ' ' THR . 25.6 t -109.3 133.1 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.871 -0.731 . . . . 0.0 111.958 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -118.23 130.74 56.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.171 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.024 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -120.68 142.07 49.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.537 -178.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.56 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.7 t90 -148.69 113.49 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.186 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 623' ' ' LYS . 12.0 tp -90.59 137.44 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.791 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 623' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.794 -179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.689 0.281 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 24.3 mttt -70.41 158.15 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.615 ' HB2' HD12 ' A' ' 582' ' ' LEU . 16.3 m-70 -143.24 173.31 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.478 ' HG3' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -155.99 114.64 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.22 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.1 p -73.16 164.84 26.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.246 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.529 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 7.3 pt20 -43.93 139.6 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.569 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -80.87 122.95 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.714 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -100.82 80.31 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.272 0.558 . . . . 0.0 109.939 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.621 ' HE2' HD12 ' A' ' 634' ' ' ILE . 13.6 mmtm -50.62 152.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.123 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.434 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.8 mmmt 32.04 77.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.357 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.777 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.5 t -178.99 141.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.935 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.2 mt -116.82 -11.98 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.526 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 21.1 m-80 -129.71 49.33 4.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.777 ' HB3' HG21 ' A' ' 602' ' ' THR . 98.2 Cg_endo -79.48 -178.7 4.78 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 123.013 2.475 . . . . 0.0 113.11 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.494 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.4 tm-20 -132.62 117.02 17.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.322 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 580' ' ' VAL . 55.4 m-85 -85.2 -57.63 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.309 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 561' ' ' ILE . 16.9 t-20 53.2 49.46 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.073 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.443 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 6.6 mm-40 -108.11 132.64 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.251 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -106.45 112.78 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.565 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 41.3 m-85 -93.33 172.75 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.856 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.0 t80 -144.55 123.59 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.294 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.582 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 8.3 m-85 -105.73 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.76 63.49 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.862 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -127.47 138.76 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.671 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.21 131.88 44.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.244 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.624 ' CD2' ' HE2' ' A' ' 665' ' ' LYS . 57.1 t-80 -43.81 -46.01 7.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -25.17 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.862 ' CB ' HD11 ' A' ' 615' ' ' ILE . 1.2 m-20 -100.57 -29.37 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.634 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.88 -68.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.812 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.831 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.78 -53.88 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.075 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.0 67.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.496 -179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.3 mmpt? -62.37 167.39 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.44 102.23 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.39 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.492 HD21 ' CG1' ' A' ' 559' ' ' VAL . 48.8 tp -79.85 122.75 27.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.136 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -106.85 97.85 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.685 ' CD1' HD12 ' A' ' 646' ' ' LEU . 3.1 mp -91.13 103.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.493 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 31.0 m -118.29 133.23 56.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.113 0.482 . . . . 0.0 111.804 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.634 ' CG2' HD21 ' A' ' 675' ' ' LEU . 6.9 t -101.11 126.38 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.088 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.659 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 37.4 m95 -124.52 148.21 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.565 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.614 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -85.69 116.96 24.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.731 ' HE1' HG23 ' A' ' 634' ' ' ILE . 50.7 t80 -66.69 167.78 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.502 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.624 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 3.2 m-20 -159.04 123.13 3.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.602 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.731 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.17 128.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.21 -6.04 57.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.586 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -137.51 -173.76 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -82.8 159.59 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.458 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 19.0 m120 -78.71 -177.38 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.49 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 40.4 m-20 -139.81 150.37 44.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.659 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.81 114.15 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' A' ' 578' ' ' PRO . 11.3 mt -90.8 -39.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.867 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.663 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.82 160.1 9.32 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.331 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -160.2 -169.25 23.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.825 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.96 148.08 16.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.345 . . . . 0.0 110.586 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 56.2 mt-30 -96.03 147.3 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.888 HD11 ' NE2' ' A' ' 673' ' ' HIS . 22.0 mt -135.33 88.9 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -133.45 145.07 17.14 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.882 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -60.13 -13.14 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 116.983 0.391 . . . . 0.0 111.573 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -86.38 13.27 8.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.15 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.319 -179.679 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.509 ' HB3' HD23 ' A' ' 646' ' ' LEU . 2.7 mtt-85 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.946 0.403 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 648' ' ' ILE . 18.4 tp -80.34 -48.81 12.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 13.2 mttm -50.22 -45.08 53.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.036 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.528 ' ND1' ' HB2' ' A' ' 671' ' ' ARG . 19.9 t-160 -74.68 -67.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.975 0.417 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 42.6 t-105 -43.31 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.766 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.882 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -40.04 -54.24 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.474 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.777 ' HB3' HD12 ' A' ' 669' ' ' ILE . 7.3 mm-40 -37.41 -46.13 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.525 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.521 ' O ' ' NZ ' ' A' ' 665' ' ' LYS . 34.6 t -50.2 -40.45 47.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.307 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.831 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -64.96 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.969 179.598 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.477 ' HD2' ' OE2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -78.32 -39.19 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.416 ' ND2' ' CG ' ' A' ' 663' ' ' LYS . 65.6 m-80 -116.86 102.61 9.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.288 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.715 ' HZ2' ' HB3' ' A' ' 550' ' ' TYR . 0.0 OUTLIER -89.01 -72.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.588 -179.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -39.36 -28.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.4 mtmt -105.1 146.55 28.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -98.34 162.93 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.37 -179.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -123.39 114.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.202 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.491 ' HG3' ' HB3' ' A' ' 547' ' ' SER . 0.0 OUTLIER -103.94 131.23 51.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.935 0.398 . . . . 0.0 111.167 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.528 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 2.2 mmt-85 -154.09 162.8 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.502 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.994 ' NE1' HD13 ' A' ' 545' ' ' LEU . 78.8 m95 -103.75 132.6 49.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.725 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.888 ' NE2' HD11 ' A' ' 646' ' ' LEU . 69.5 m-70 -114.21 129.77 56.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 676' ' ' GLN . 4.1 mt-30 -78.21 102.02 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.1 mt -44.51 129.28 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 674' ' ' GLN . 8.6 mm100 -120.07 166.57 13.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.629 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 12.3 t30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.567 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.423 0 N-CA-C 112.709 -0.156 . . . . 0.0 112.709 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 7.6 mtmt -130.53 137.75 49.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -114.02 126.84 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 111.409 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.907 HD13 ' CE2' ' A' ' 672' ' ' TRP . 14.0 tp -79.28 116.58 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.759 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 627' ' ' ILE . 42.7 t -119.49 135.97 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.522 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 30.3 t -115.71 144.13 44.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.672 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.533 ' CD1' ' HA ' ' A' ' 658' ' ' TRP . 15.4 mt -117.35 162.08 18.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 111.174 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.535 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.9 OUTLIER 176.45 114.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.493 ' HB3' ' HG3' ' A' ' 665' ' ' LYS . 47.1 t80 -95.51 132.52 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 111.151 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.81 79.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.3 p -45.69 -41.25 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -47.01 60.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.201 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.24 -19.03 37.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.5 38.75 32.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.43 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.96 170.45 34.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.633 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 7.0 tp -94.57 155.12 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 0.0 110.627 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.845 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.6 mm -123.77 119.56 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.889 0.376 . . . . 0.0 110.714 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.649 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.8 t -106.33 121.05 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.39 111.42 3.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.325 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.002 HD11 ' CD2' ' A' ' 582' ' ' LEU . 49.3 mm -88.67 102.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.622 HD13 ' CD2' ' A' ' 545' ' ' LEU . 1.6 mt -78.94 -76.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 606' ' ' GLU . 1.9 ptm180 -158.35 173.5 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.04 0.448 . . . . 0.0 111.76 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.6 p -130.44 159.9 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.042 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.06 150.97 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.404 0.621 . . . . 0.0 112.534 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.527 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.509 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.761 ' O ' HD13 ' A' ' 603' ' ' LEU . 33.1 mt -83.72 155.1 23.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.868 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.557 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -75.54 166.39 23.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.508 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -108.27 120.8 43.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.544 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -90.88 -17.74 25.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.199 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -103.65 164.12 11.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.023 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.18 -3.63 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.193 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 -11.06 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.508 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 91.73 11.56 60.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.294 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.705 ' HA ' HD21 ' A' ' 603' ' ' LEU . 2.9 m-85 -125.19 -169.21 1.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 111.814 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 17.2 m -153.99 177.75 10.7 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.23 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 578' ' ' PRO . 2.1 m-20 -127.94 55.29 15.83 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.525 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 38.9 Cg_endo -68.17 143.47 59.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.569 2.846 . . . . 0.0 115.406 -177.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 22.4 p90 -138.6 161.68 36.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 113.974 -1.466 . . . . 0.0 107.425 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 629' ' ' VAL . 48.8 t -111.76 132.72 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.764 -0.775 . . . . 0.0 112.785 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 9.5 mttm -117.14 131.61 56.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.562 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.002 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.12 143.98 47.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.034 0.445 . . . . 0.0 111.748 -178.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.578 ' CE3' ' HE3' ' A' ' 585' ' ' LYS . 4.3 t90 -151.65 114.63 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.176 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.592 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.7 tp -90.03 111.39 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.223 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.578 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.56 -179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.145 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.467 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 2.5 mttt -77.89 165.56 23.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 8.8 m-70 -160.3 172.08 17.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.12 0.486 . . . . 0.0 111.703 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.25 120.57 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.057 179.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.686 HG21 HG21 ' A' ' 561' ' ' ILE . 5.7 p -78.54 172.49 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.064 0.459 . . . . 0.0 111.263 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -51.17 151.9 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.55 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -83.73 129.38 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.397 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 602' ' ' THR . 3.3 mmpt? -98.88 74.85 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.08 0.467 . . . . 0.0 110.143 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.58 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 18.5 mmtm -51.65 140.63 18.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.285 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.513 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 34.27 82.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.823 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.861 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.1 t 178.09 139.15 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.9 mt -109.52 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.408 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -136.56 54.03 8.48 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.861 ' HB3' HG21 ' A' ' 602' ' ' THR . 87.6 Cg_endo -79.16 -170.46 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.813 2.342 . . . . 0.0 113.145 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 563' ' ' ARG . 1.2 tt0 -134.0 122.37 22.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.348 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.611 ' CE2' HG23 ' A' ' 580' ' ' VAL . 63.4 m-85 -88.84 -59.14 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.267 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.7 t-20 54.98 49.2 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.445 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.0 OUTLIER -109.13 136.62 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -109.1 111.92 23.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.71 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 35.9 m-85 -95.84 174.03 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.126 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.845 ' HD1' HD13 ' A' ' 558' ' ' ILE . 6.1 t80 -146.55 127.33 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.528 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.649 ' CE1' HG21 ' A' ' 559' ' ' VAL . 8.7 m-85 -107.81 156.55 19.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.38 60.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.894 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -124.41 145.5 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 615' ' ' ILE . 5.1 mmtt -75.67 130.94 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.53 ' NE2' ' HD2' ' A' ' 665' ' ' LYS . 47.9 t-80 -43.57 -45.92 6.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -20.12 56.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.894 ' CB ' HD11 ' A' ' 615' ' ' ILE . 32.0 m-20 -99.57 -28.56 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.609 HD23 HG12 ' A' ' 615' ' ' ILE . 0.2 OUTLIER -34.52 -66.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.756 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -40.8 -48.04 2.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.641 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.61 63.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.098 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.775 ' HE3' HD13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -73.0 -176.48 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.4 p -159.83 104.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.048 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 21.3 tp -79.44 149.53 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.95 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 2.5 t70 -132.56 96.77 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.614 HG21 HG21 ' A' ' 546' ' ' VAL . 2.7 mp -92.19 98.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.525 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 28.6 m -113.76 129.94 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.638 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 580' ' ' VAL . 14.6 t -98.88 120.86 48.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.289 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 39.6 m95 -118.07 149.03 41.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.876 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.4 OUTLIER -87.55 138.01 31.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.321 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 23.0 t80 -90.44 164.44 14.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.201 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -157.96 131.79 7.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.532 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.06 124.9 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.046 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.44 -9.35 67.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.31 -169.08 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 638' ' ' ASN . 15.6 p -97.8 144.02 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 637' ' ' SER . 0.2 OUTLIER -52.69 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 630' ' ' TRP . 1.7 m-20 -149.95 156.68 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.69 118.35 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.876 HD11 ' HB2' ' A' ' 631' ' ' ASP . 76.4 mt -97.49 -44.95 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.639 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 160.82 159.29 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.43 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.89 -163.05 19.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.787 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.16 166.21 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.307 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -112.92 134.67 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.855 HD11 ' NE2' ' A' ' 673' ' ' HIS . 8.5 mt -117.81 98.7 6.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.314 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.51 144.51 14.53 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.534 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.922 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -58.54 -13.77 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 120.87 0.367 . . . . 0.0 111.642 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.9 t -85.48 12.12 9.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.151 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.167 -179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.524 ' HB3' HD23 ' A' ' 646' ' ' LEU . 3.6 mtm180 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.4 tp -56.58 -45.14 81.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.935 0.397 . . . . 0.0 110.49 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 65.0 mttm -58.01 -42.67 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.721 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.527 ' ND1' ' HG2' ' A' ' 671' ' ' ARG . 9.0 t-160 -72.06 -65.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.487 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.0 t-105 -48.59 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.922 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.4 OUTLIER -33.68 -53.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.376 179.493 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.917 ' HB3' HD12 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -38.09 -47.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.074 0.464 . . . . 0.0 110.444 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 22.8 t -45.84 -39.36 8.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.756 HD21 ' H ' ' A' ' 621' ' ' ALA . 2.1 mp -68.12 -28.41 67.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.641 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 660' ' ' GLU . 1.9 mtpt -86.9 -44.49 11.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.469 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -108.07 56.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.633 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.53 ' HD2' ' NE2' ' A' ' 617' ' ' HIS . 2.2 mppt? -42.77 -89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.94 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.549 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.6 mmtp -80.01 161.01 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -101.54 142.0 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.917 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.2 mm -124.53 93.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.191 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 17.1 pm0 -108.71 141.9 40.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.127 0.489 . . . . 0.0 111.563 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.579 ' HD2' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -166.18 162.23 17.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.675 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.907 ' CE2' HD13 ' A' ' 545' ' ' LEU . 95.5 m95 -90.91 130.56 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.002 0.43 . . . . 0.0 111.657 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.855 ' NE2' HD11 ' A' ' 646' ' ' LEU . 52.9 m-70 -111.68 131.42 55.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.651 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -77.59 113.17 15.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.587 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 642' ' ' GLY . 82.1 mt -53.65 129.26 32.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.508 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 643' ' ' GLY . 0.9 OUTLIER -123.04 163.32 20.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.539 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.055 -179.874 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.688 -0.165 . . . . 0.0 112.688 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 131.0 53.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -109.39 129.33 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 111.454 -179.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.825 HD13 ' CE2' ' A' ' 672' ' ' TRP . 16.7 tp -79.92 115.29 19.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.642 HG21 HG21 ' A' ' 627' ' ' ILE . 37.5 t -117.88 135.3 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.0 OUTLIER -111.04 142.45 43.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.7 mt -120.12 156.67 30.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.429 . . . . 0.0 111.213 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 558' ' ' ILE . 4.8 tmm? 177.6 127.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.133 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.2 t80 -106.56 132.72 52.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.044 0.45 . . . . 0.0 111.302 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 79.8 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.827 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.446 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.3 p -45.76 -41.2 10.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 110.188 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.39 -45.9 55.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.224 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -85.75 -19.22 31.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.713 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.18 38.97 33.16 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.497 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.96 167.66 32.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.571 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.6 tp -94.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.87 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.1 mm -125.35 120.0 56.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.799 HG11 HD22 ' A' ' 582' ' ' LEU . 2.2 t -106.87 120.48 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -106.59 108.51 2.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.601 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 0.925 HD11 ' CD2' ' A' ' 582' ' ' LEU . 28.2 mm -86.88 96.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.697 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mt -75.72 -77.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -157.73 170.18 22.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 111.773 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.0 OUTLIER -126.17 160.47 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.333 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.0 m -142.98 146.13 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 112.173 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.517 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 54.12 58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.386 179.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.994 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.2 mt -90.5 152.21 21.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.38 45.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.495 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -107.43 118.26 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.503 ' N ' ' OG ' ' A' ' 576' ' ' SER . 10.1 mmt -87.9 -21.81 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.04 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -10.81 58.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.785 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.64 8.36 59.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -120.37 -168.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.557 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.669 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.5 OUTLIER -160.79 170.28 21.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.067 0.461 . . . . 0.0 111.583 -179.566 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.534 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 5.2 m-20 -117.07 59.73 2.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.707 ' HB3' HD12 ' A' ' 641' ' ' ILE . 36.5 Cg_endo -67.28 145.5 72.32 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 123.359 2.706 . . . . 0.0 115.28 -177.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.4 p90 -141.83 161.37 38.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.965 -1.47 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.542 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 24.3 t -113.42 132.71 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.39 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.493 ' HG2' ' HB2' ' A' ' 595' ' ' LYS . 0.8 OUTLIER -115.34 134.6 54.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.711 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 0.925 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.2 OUTLIER -122.62 137.99 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.939 0.4 . . . . 0.0 111.559 -179.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.583 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.0 t90 -145.96 117.69 8.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.966 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 623' ' ' LYS . 15.4 tp -94.72 113.45 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.717 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.942 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.425 ' HB3' ' CD1' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.583 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.4 mmtp -61.83 150.02 38.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 4.7 m-70 -147.6 172.73 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.394 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.493 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.1 OUTLIER -159.67 132.87 6.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.246 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.861 HG21 HG21 ' A' ' 561' ' ' ILE . 33.9 p -89.72 167.37 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.98 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -51.81 139.19 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.742 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.9 mm -77.96 119.97 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.608 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.628 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.66 83.9 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.466 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.599 ' HE2' HD12 ' A' ' 634' ' ' ILE . 1.3 mmtm -63.64 152.34 39.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.098 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 602' ' ' THR . 1.7 mmtm 44.65 66.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.886 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.785 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.3 t -178.16 144.13 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 111.131 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.994 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.4 mt -118.65 -11.53 9.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 1.1 m-80 -129.99 47.25 2.71 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.456 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.785 ' HB3' HG21 ' A' ' 602' ' ' THR . 72.6 Cg_endo -76.23 -175.78 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.961 2.441 . . . . 0.0 113.002 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.6 tt0 -132.41 116.95 17.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.542 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 64.3 m-85 -82.59 -56.84 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 52.15 47.45 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 -179.486 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 561' ' ' ILE . 0.8 OUTLIER -108.91 130.09 55.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.352 -179.401 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.51 108.41 19.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.538 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 19.3 m-85 -90.32 174.06 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.935 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.87 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.9 t80 -146.87 128.15 14.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.606 ' HE1' HG21 ' A' ' 559' ' ' VAL . 8.9 m-85 -107.65 153.9 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.002 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -108.54 62.5 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.111 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.893 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -128.32 145.56 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.653 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.438 ' N ' HG13 ' A' ' 615' ' ' ILE . 2.6 mptt -76.9 131.64 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.584 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 51.8 t-80 -41.67 -51.23 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -17.27 3.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.37 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.893 ' CB ' HD11 ' A' ' 615' ' ' ILE . 84.0 m-20 -105.16 -29.13 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.589 HD23 HG12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.66 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 179.566 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.873 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -33.83 -53.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.103 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -65.01 -26.35 68.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.77 0.319 . . . . 0.0 111.464 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.788 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -56.7 -176.03 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.1 0.476 . . . . 0.0 111.145 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 29.5 p -159.19 103.69 1.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.289 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 627' ' ' ILE . 29.0 tp -79.69 147.81 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.918 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 12.6 t0 -130.78 93.24 3.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 546' ' ' VAL . 2.2 mp -88.66 102.72 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.499 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 50.4 p -117.85 131.22 56.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.057 0.456 . . . . 0.0 111.777 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 580' ' ' VAL . 10.9 t -102.13 122.17 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.238 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.66 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 42.8 m95 -121.64 150.55 41.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 111.417 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.479 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -83.85 128.15 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.852 179.225 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.742 ' CG ' HG21 ' A' ' 598' ' ' ILE . 30.4 t80 -90.73 159.72 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.298 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.544 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.3 OUTLIER -160.22 127.85 4.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.599 HD12 ' HE2' ' A' ' 600' ' ' LYS . 0.0 OUTLIER -79.64 136.29 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 84.02 -17.41 27.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.95 -173.21 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 60.7 p -79.84 -162.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.89 172.54 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 631' ' ' ASP . 0.9 OUTLIER -130.96 154.39 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.712 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.66 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -94.46 114.45 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' A' ' 578' ' ' PRO . 26.8 mt -92.36 -38.15 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.493 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.29 160.85 9.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -163.94 -161.5 13.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.682 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.76 159.59 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.827 0.346 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -107.8 134.89 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.724 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.533 HD11 ' HE2' ' A' ' 673' ' ' HIS . 8.9 mt -123.51 104.54 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -146.12 146.23 16.08 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.898 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.4 tt -62.9 -10.32 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.003 0.43 . . . . 0.0 111.238 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -88.3 13.55 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.248 -179.7 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.491 ' HB3' HD23 ' A' ' 646' ' ' LEU . 4.1 mtm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.713 0.292 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 648' ' ' ILE . 15.7 tp -55.0 -38.0 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 110.647 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.1 OUTLIER -59.51 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.478 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 21.1 t-160 -66.82 -52.38 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.939 0.4 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 60.6 t-105 -61.94 -61.97 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.885 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.668 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -59.6 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.264 -178.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.567 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.5 pt-20 -42.78 -33.34 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 1.6 t -62.87 -41.58 99.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.873 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -54.64 -37.79 66.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 1.2 pttt -72.0 -41.05 68.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 33.8 m-20 -103.68 87.88 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.377 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.1 OUTLIER -79.14 -70.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.7 -17.76 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.4 mtmm -94.57 135.92 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -79.9 153.37 29.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.162 0.506 . . . . 0.0 111.473 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -135.78 143.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.271 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 3.3 pm0 -150.5 148.55 28.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 111.555 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.484 ' HG3' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -173.88 149.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.825 ' CE2' HD13 ' A' ' 545' ' ' LEU . 91.4 m95 -79.18 129.13 34.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.287 0.565 . . . . 0.0 111.659 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.623 ' CE1' ' HB ' ' A' ' 546' ' ' VAL . 0.1 OUTLIER -105.75 129.57 53.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.312 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.41 114.03 15.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 642' ' ' GLY . 94.7 mt -58.85 128.84 39.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.467 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.478 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 3.1 mm-40 -117.22 174.19 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.427 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.522 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.658 -0.177 . . . . 0.0 112.658 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -126.08 138.8 53.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.534 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -118.23 127.46 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.227 0.537 . . . . 0.0 111.991 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.942 ' HG ' HD13 ' A' ' 562' ' ' ILE . 18.7 tp -79.71 113.68 18.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.339 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.618 HG21 HG21 ' A' ' 627' ' ' ILE . 78.7 t -112.12 135.53 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.255 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.1 OUTLIER -110.17 139.61 45.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 669' ' ' ILE . 16.6 mt -122.49 148.56 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.267 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 5.0 tmm? -173.91 118.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.4 t80 -97.08 131.04 44.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . 0.478 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -100.7 78.63 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.931 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 552' ' ' THR . 1.3 p -46.31 -41.86 13.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -45.88 52.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.32 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -86.2 -16.87 36.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.35 39.3 36.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.42 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.3 169.3 33.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.634 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.521 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.9 tp -94.6 157.44 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.68 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.831 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.4 mm -127.57 117.59 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.67 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.863 HG11 HD22 ' A' ' 582' ' ' LEU . 2.0 t -104.13 116.81 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 547' ' ' SER . . . -105.88 105.82 2.5 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.403 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.063 HD11 HD21 ' A' ' 582' ' ' LEU . 8.3 mm -85.24 106.19 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.942 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -80.97 -77.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.501 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -156.64 171.24 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 111.71 -179.195 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 7.4 p -130.23 158.36 39.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.23 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.95 154.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.287 0.565 . . . . 0.0 112.387 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.69 41.01 12.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.358 179.346 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.666 ' O ' HD13 ' A' ' 603' ' ' LEU . 13.6 mt -80.85 155.59 26.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.438 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -82.84 165.51 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.361 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.598 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -128.42 109.8 11.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.643 ' HE1' HG12 ' A' ' 641' ' ' ILE . 3.0 mtm -85.64 -25.75 26.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.394 . . . . 0.0 110.811 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.13 151.75 47.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.626 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.49 -5.54 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -84.0 -10.92 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.819 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.59 4.18 64.07 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.353 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.598 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -124.72 -169.63 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 111.992 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.488 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.6 OUTLIER -152.45 178.32 9.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.179 -179.686 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 11.4 m-20 -124.96 58.46 18.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.808 ' HB3' HD12 ' A' ' 641' ' ' ILE . 34.3 Cg_endo -66.53 144.26 72.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 123.399 2.732 . . . . 0.0 115.289 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 630' ' ' TRP . 17.0 p90 -144.35 160.27 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 113.979 -1.464 . . . . 0.0 107.727 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.676 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 21.2 t -110.22 128.9 66.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.194 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.14 130.85 56.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.951 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.063 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.91 133.7 55.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 -179.041 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.552 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.6 t90 -140.68 115.81 9.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.008 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.616 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.2 tp -87.33 105.35 17.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.634 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.963 -179.77 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.838 0.351 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.548 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 17.3 mttt -77.56 163.18 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 10.7 m-70 -160.07 173.39 15.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.97 0.414 . . . . 0.0 111.715 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.487 ' HG3' ' HE2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.36 114.7 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.77 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.618 HG22 ' CE1' ' A' ' 611' ' ' PHE . 5.2 p -73.87 176.11 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.384 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -50.05 138.99 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.349 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.553 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.8 119.73 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.581 ' O ' HG22 ' A' ' 602' ' ' THR . 11.7 mmpt? -90.78 72.94 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.597 ' HE2' ' CE1' ' A' ' 632' ' ' TYR . 2.5 mmtp -64.23 142.97 58.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.609 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 49.33 65.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.698 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.817 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.3 t -179.96 147.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.834 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.9 mt -119.07 -12.81 9.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.501 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 12.3 m-80 -130.89 49.73 5.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.817 ' HB3' HG21 ' A' ' 602' ' ' THR . 96.9 Cg_endo -78.53 -173.32 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.071 2.514 . . . . 0.0 113.471 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.8 tt0 -132.76 124.97 29.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.346 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.826 ' HB2' HG22 ' A' ' 561' ' ' ILE . 64.7 m-85 -89.41 -58.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 51.35 48.87 22.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.044 0.449 . . . . 0.0 110.21 -179.45 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.2 mm-40 -108.84 138.2 45.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.052 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 610' ' ' GLU . 16.6 pt-20 -110.35 110.34 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' A' ' 596' ' ' THR . 40.0 m-85 -93.09 171.0 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.266 0.555 . . . . 0.0 112.316 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.831 ' HD1' HD13 ' A' ' 558' ' ' ILE . 3.6 t80 -143.73 121.93 12.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.413 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.696 ' HE1' HG21 ' A' ' 559' ' ' VAL . 9.6 m-85 -104.7 153.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.728 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 62.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.004 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.864 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -127.88 137.7 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 130.27 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.492 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.9 t-80 -42.43 -45.18 4.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -24.1 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.864 ' CB ' HD11 ' A' ' 615' ' ' ILE . 59.1 m-20 -104.15 -27.63 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.568 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -37.05 -66.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.303 179.641 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.793 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -36.56 -51.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.692 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -24.47 66.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.443 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.749 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.1 mmpt? -62.18 170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.2 p -142.06 103.24 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.344 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.476 ' CD2' HD21 ' A' ' 548' ' ' LEU . 50.6 tp -79.8 116.63 20.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.952 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -106.39 97.81 7.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.618 HG21 HG21 ' A' ' 546' ' ' VAL . 3.4 mp -91.32 100.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 2.2 m -113.36 135.65 53.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.554 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.637 ' CG2' HD21 ' A' ' 675' ' ' LEU . 15.9 t -102.42 124.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.095 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.625 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 54.4 m95 -122.3 146.96 46.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.646 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.57 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -86.12 120.35 27.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.395 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.697 ' HE1' HG23 ' A' ' 634' ' ' ILE . 26.9 t80 -76.09 161.24 29.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.079 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.584 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.12 128.84 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.69 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.697 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.3 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -15.79 58.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.423 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.92 -162.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.52 173.66 10.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.16 -171.6 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.1 m-20 -137.35 156.29 48.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.625 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.08 116.28 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.808 HD12 ' HB3' ' A' ' 578' ' ' PRO . 15.7 mt -95.55 -37.73 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.66 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 149.49 161.0 9.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.418 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.71 -169.77 26.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.787 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 166.3 32.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.817 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.481 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.9 mt-30 -112.48 143.76 43.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.796 HD11 ' NE2' ' A' ' 673' ' ' HIS . 16.7 mt -134.71 88.86 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.05 142.57 13.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.702 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.96 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.6 tt -59.4 -14.06 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 117.041 0.421 . . . . 0.0 111.383 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.0 t -80.22 1.85 26.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.161 -179.88 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.546 ' HB3' HD23 ' A' ' 646' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.862 0.363 . . . . 0.0 110.789 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.96 HD12 ' HA ' ' A' ' 648' ' ' ILE . 12.6 tp -69.96 -48.79 56.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.6 mtmt -45.61 -70.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.139 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.519 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 16.2 t-160 -52.67 -50.61 62.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 63.8 t-105 -61.6 -75.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.586 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -49.15 -61.77 1.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.813 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.558 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.3 pt-20 -41.82 -32.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.193 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 23.6 t -62.41 -44.76 95.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.793 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -52.44 -28.51 20.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 12.1 pttt -83.87 -46.57 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.877 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.529 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 4.2 m-20 -95.47 38.38 1.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.495 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 550' ' ' TYR . 1.0 OUTLIER -39.35 -71.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.057 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 667' ' ' LYS . 3.0 p-10 -48.72 -23.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.3 mtpt -94.86 137.39 33.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.515 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.9 OUTLIER -82.65 144.56 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.409 -179.556 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.558 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -123.34 157.27 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -154.68 135.85 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.477 ' HG3' ' HB2' ' A' ' 657' ' ' HIS . 2.6 mmt180 -154.33 166.16 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.342 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.835 ' CE2' HD13 ' A' ' 545' ' ' LEU . 83.8 m95 -103.22 131.6 50.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.692 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.796 ' NE2' HD11 ' A' ' 646' ' ' LEU . 75.3 m-70 -117.93 130.07 56.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.086 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 34.1 mt-30 -77.25 108.84 10.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.185 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.2 mt -49.67 128.78 18.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.375 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 48.1 mt-30 -125.19 159.64 31.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 120.859 0.144 . . . . 0.0 112.97 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -127.95 137.83 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.498 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -114.37 128.29 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.438 . . . . 0.0 111.651 -179.568 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.941 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.4 tp -79.51 123.32 27.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.561 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.31 134.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.251 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.582 ' HB3' HD11 ' A' ' 562' ' ' ILE . 54.6 p -116.91 111.86 20.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 55.1 mt -95.41 162.31 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 111.519 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.516 ' SD ' ' CB ' ' A' ' 668' ' ' LYS . 30.3 ttp 175.94 125.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.229 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 59.5 t80 -103.17 130.62 50.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.458 . . . . 0.0 111.322 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.82 76.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.834 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.488 HG22 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -43.01 -38.3 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.4 tp60 -53.78 -54.9 31.68 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.504 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 19.5 mt-30 -75.62 -15.23 60.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.548 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.83 41.45 62.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.65 168.3 33.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.569 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.53 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.2 tp -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.839 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -125.99 119.38 54.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.675 HG11 HD22 ' A' ' 582' ' ' LEU . 2.3 t -105.81 118.17 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.464 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -106.7 110.55 3.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.386 -0.911 . . . . 0.0 113.607 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.054 HD11 HD21 ' A' ' 582' ' ' LEU . 26.6 mm -90.36 99.16 9.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.922 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.6 mp -79.39 -73.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.511 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -159.82 170.84 20.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.256 0.55 . . . . 0.0 112.055 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -127.55 161.84 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.646 178.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.59 144.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 112.224 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 60.2 t60 55.29 54.71 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.352 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.927 ' O ' HD13 ' A' ' 603' ' ' LEU . 22.6 mt -84.05 161.83 20.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.056 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 576' ' ' SER . . . -69.81 149.71 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.557 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -112.28 116.25 30.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.341 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 6.4 mmt -79.74 -28.69 40.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -84.24 164.95 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.317 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.26 -5.88 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.041 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.1 -12.29 58.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.515 ' O ' HD11 ' A' ' 603' ' ' LEU . . . 94.43 16.15 44.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.671 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.632 ' C ' HD21 ' A' ' 603' ' ' LEU . 3.2 m-85 -124.16 -172.07 2.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.6 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.2 m -161.97 179.57 7.91 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.541 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 5.5 m-20 -123.5 58.75 14.2 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.451 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.633 ' HG3' HD12 ' A' ' 567' ' ' LEU . 42.7 Cg_endo -69.63 152.05 69.9 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 123.377 2.718 . . . . 0.0 115.499 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.612 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 10.6 p90 -149.17 161.84 41.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.456 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 629' ' ' VAL . 23.6 t -116.35 132.3 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.905 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.8 mttp -114.62 131.12 56.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.762 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.054 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.07 143.94 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.929 0.395 . . . . 0.0 111.549 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.58 ' CE3' ' HE3' ' A' ' 593' ' ' LYS . 5.3 t90 -151.33 118.42 5.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.102 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.607 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.6 tp -90.54 107.73 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.763 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.776 0.322 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.58 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 14.6 mmtm -80.0 155.91 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.799 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.6 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 10.5 m-70 -158.25 166.2 32.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.118 0.485 . . . . 0.0 111.667 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.39 117.0 2.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.267 179.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.885 HG21 HG21 ' A' ' 561' ' ' ILE . 15.1 p -70.18 159.2 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.09 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.519 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 17.3 pt20 -48.02 139.17 8.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.544 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.2 mm -74.32 124.9 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -104.49 83.85 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.195 0.522 . . . . 0.0 109.896 178.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.567 ' HE2' ' CD1' ' A' ' 632' ' ' TYR . 21.7 mmtp -55.91 155.03 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.058 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.481 ' O ' ' HB ' ' A' ' 602' ' ' THR . 6.8 mmmt 32.93 76.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.167 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.803 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.7 t 179.36 139.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.069 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.927 HD13 ' O ' ' A' ' 567' ' ' LEU . 7.5 mt -113.6 -11.25 13.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -131.94 49.72 4.96 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.803 ' HB3' HG21 ' A' ' 602' ' ' THR . 81.7 Cg_endo -78.3 170.88 17.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.911 2.407 . . . . 0.0 113.104 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 2.9 tt0 -121.34 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.473 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.529 ' HB2' HG22 ' A' ' 561' ' ' ILE . 66.8 m-85 -79.63 -52.39 8.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.391 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.2 t-20 50.28 49.14 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 109.961 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 124.76 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.309 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -98.89 108.52 21.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 30.8 m-85 -91.27 171.67 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.839 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.6 t80 -144.73 123.19 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.612 ' HE1' HG21 ' A' ' 559' ' ' VAL . 8.1 m-85 -103.95 152.29 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.725 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.45 57.91 0.65 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.894 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -123.78 145.33 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.725 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.481 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.8 OUTLIER -79.79 137.35 36.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 55.5 t-80 -44.64 -51.24 9.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -17.9 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.239 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.894 ' CB ' HD11 ' A' ' 615' ' ' ILE . 9.1 m-20 -105.58 -29.14 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.721 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.627 HD21 HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.2 -65.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.637 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.786 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.67 -53.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.873 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -63.23 -14.2 46.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 111.182 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.777 ' HD2' HD13 ' A' ' 615' ' ' ILE . 1.3 mmpt? -75.58 179.89 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.276 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.31 104.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.346 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 627' ' ' ILE . 54.8 tp -79.42 114.37 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -97.47 97.35 9.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.528 HD11 HD23 ' A' ' 625' ' ' LEU . 3.6 mp -90.27 106.85 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.73 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 640' ' ' TYR . 88.3 p -117.92 135.95 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 580' ' ' VAL . 21.3 t -108.2 129.4 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.612 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 28.2 m95 -121.55 147.46 45.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.55 ' HB3' ' CG1' ' A' ' 641' ' ' ILE . 0.7 OUTLIER -90.59 120.84 32.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 0.0 109.904 178.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 41.8 t80 -73.88 165.02 25.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.185 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.7 m-20 -159.93 119.12 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.48 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -77.63 131.01 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 179.776 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.46 -3.12 55.53 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 -167.63 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.829 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 37.6 m -97.36 155.35 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -80.43 -170.69 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.542 ' CB ' ' OD2' ' A' ' 631' ' ' ASP . 0.2 OUTLIER -160.12 158.54 30.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 628' ' ' SER . 1.1 t80 -89.76 112.53 23.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' A' ' 578' ' ' PRO . 60.3 mt -83.35 -56.98 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.496 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 179.85 156.66 18.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.812 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -168.75 -150.37 6.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.431 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 178.48 172.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.431 ' O ' ' HD3' ' A' ' 654' ' ' ARG . 32.6 mt-30 -109.26 137.32 47.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.764 HD11 ' NE2' ' A' ' 673' ' ' HIS . 9.3 mt -124.77 89.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.53 148.7 20.24 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.865 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.9 OUTLIER -60.86 -11.74 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 111.591 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -88.21 14.26 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.159 0.504 . . . . 0.0 109.785 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.189 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.427 -179.582 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.565 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.6 mtt85 . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 648' ' ' ILE . 25.0 tp -62.82 -33.33 74.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.7 mtpp -64.75 -59.3 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.606 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 6.8 t-160 -57.45 -53.28 59.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.193 0.52 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.9 t-105 -60.02 -79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.854 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -39.71 -61.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.949 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.558 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.4 pt-20 -42.92 -33.78 0.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.097 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.705 ' HA ' HD11 ' A' ' 669' ' ' ILE . 31.3 t -58.98 -41.31 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.786 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -59.77 -24.43 64.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.888 178.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -39.2 16.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.901 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.522 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.2 m-20 -106.69 58.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.642 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.545 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.7 OUTLIER -49.98 -82.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.522 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 6.4 mttm -82.88 125.41 31.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.63 118.58 21.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.705 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.7 OUTLIER -92.03 158.68 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.802 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.555 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 4.0 mt-10 -156.07 134.47 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.606 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -165.73 158.34 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.941 ' NE1' HD13 ' A' ' 545' ' ' LEU . 84.2 m95 -97.03 132.28 43.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.764 ' NE2' HD11 ' A' ' 646' ' ' LEU . 88.1 m-70 -110.73 129.59 55.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.762 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.59 104.85 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.375 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.496 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 92.8 mt -53.98 128.71 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.223 0.535 . . . . 0.0 111.443 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.405 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 2.7 mt-30 -120.23 159.48 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.649 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.532 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.655 -0.178 . . . . 0.0 112.655 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -132.75 135.86 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.532 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -112.76 129.44 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -179.638 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.989 ' HG ' HD13 ' A' ' 562' ' ' ILE . 20.5 tp -79.56 114.98 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.215 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.508 HG23 HG23 ' A' ' 544' ' ' ILE . 77.4 t -114.76 130.33 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.841 ' HB2' HD11 ' A' ' 562' ' ' ILE . 0.5 OUTLIER -112.23 136.71 51.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.304 179.317 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.6 mt -118.97 163.13 17.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.503 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.8 tmm? 174.26 125.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 48.5 t80 -105.24 133.9 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 0.0 110.892 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.12 85.34 2.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.484 HG21 ' HD2' ' A' ' 665' ' ' LYS . 1.2 p -49.73 -39.89 38.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.025 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -49.3 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.978 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.02 -17.17 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.426 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.86 41.0 56.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -158.47 163.42 32.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.696 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.1 tp -88.89 157.94 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.649 0.261 . . . . 0.0 110.731 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.824 HD13 ' CD1' ' A' ' 612' ' ' PHE . 0.8 OUTLIER -127.97 120.38 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.029 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.6 t -108.35 122.55 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.67 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -112.18 114.02 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.387 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.052 HD11 ' CD2' ' A' ' 582' ' ' LEU . 35.7 mm -93.45 98.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.989 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.8 mp -73.94 -73.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 3.2 ptm180 -164.04 171.63 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.184 0.516 . . . . 0.0 112.013 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.521 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -124.18 161.5 25.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.948 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 34.4 m -142.7 145.71 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.139 0.495 . . . . 0.0 112.198 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.525 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.1 t-80 49.58 57.67 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.056 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.831 ' O ' HD13 ' A' ' 603' ' ' LEU . 15.3 mt -84.01 162.55 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -74.32 145.59 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.512 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -107.31 113.13 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.491 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 16.5 mmt -83.19 -25.74 31.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.794 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -84.29 154.58 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.75 27.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -80.81 -6.34 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 87.21 9.56 72.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.0 m-85 -123.29 -168.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.823 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.589 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.4 OUTLIER -160.02 178.59 9.55 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.067 0.461 . . . . 0.0 111.473 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.527 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.0 m-20 -121.25 58.37 7.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.592 ' HG3' HD12 ' A' ' 567' ' ' LEU . 32.7 Cg_endo -66.24 143.98 72.94 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.403 2.735 . . . . 0.0 115.504 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 29.3 p90 -146.08 162.03 38.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 113.791 -1.549 . . . . 0.0 107.464 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 629' ' ' VAL . 25.0 t -116.5 129.96 72.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.723 -178.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.554 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.7 OUTLIER -112.74 130.95 55.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.417 178.798 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.052 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -118.99 138.62 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.633 -178.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.601 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.9 t90 -147.09 118.02 7.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 623' ' ' LYS . 15.5 tp -92.84 108.95 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.449 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 13.8 mtmt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.775 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.778 0.323 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.601 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 34.1 mttt -81.5 157.8 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.794 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.649 ' HB2' HD12 ' A' ' 582' ' ' LEU . 16.8 m-70 -157.14 176.62 12.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.109 0.48 . . . . 0.0 111.457 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 125.21 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.101 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.607 HG21 HG21 ' A' ' 561' ' ' ILE . 4.0 p -81.42 160.19 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 111.012 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.98 149.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.615 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.2 mm -87.64 128.01 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.829 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -104.97 63.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 109.893 179.354 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.527 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.0 OUTLIER -50.45 137.81 18.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.108 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.533 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 66.15 62.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.406 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 599' ' ' LYS . 4.3 t 176.93 145.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 567' ' ' LEU . 11.1 mt -115.81 -14.61 11.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.753 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -123.02 43.86 0.83 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.767 ' HB3' HG21 ' A' ' 602' ' ' THR . 55.4 Cg_endo -71.74 173.44 12.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.967 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 74.8 tt0 -121.47 119.54 32.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.379 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.483 ' CD2' HG22 ' A' ' 561' ' ' ILE . 46.7 m-85 -88.6 -58.57 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.407 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.4 OUTLIER 50.22 47.94 22.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 110.103 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.449 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.6 mm-40 -106.15 130.74 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.265 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -105.64 112.02 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.509 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 41.0 m-85 -95.85 174.84 6.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.164 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.824 ' CD1' HD13 ' A' ' 558' ' ' ILE . 5.7 t80 -147.41 125.35 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.163 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.6 m-85 -105.0 157.14 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.816 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.09 64.83 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.869 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -132.23 140.35 47.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.738 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 619' ' ' ASP . 23.7 mmtt -74.63 131.72 41.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.538 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.532 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 42.2 t-80 -42.52 -43.9 3.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.9 -24.79 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.869 ' CB ' HD11 ' A' ' 615' ' ' ILE . 74.3 m-20 -101.81 -29.19 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.648 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -34.85 -66.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.573 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.763 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -36.15 -57.1 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.792 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -20.44 62.84 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.84 0.352 . . . . 0.0 111.286 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.752 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.4 OUTLIER -65.49 172.06 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.86 104.67 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.189 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.548 HD23 HD11 ' A' ' 627' ' ' ILE . 23.1 tp -79.02 144.08 35.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 1.8 t70 -129.71 97.37 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.548 HD11 HD23 ' A' ' 625' ' ' LEU . 2.0 mp -92.27 97.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.376 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.495 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 90.7 p -110.3 130.68 55.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.642 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 580' ' ' VAL . 6.8 t -101.67 125.25 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.125 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.637 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 52.2 m95 -122.73 146.78 47.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.549 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.7 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.72 113.06 21.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.113 0.483 . . . . 0.0 110.147 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.761 ' HE1' HG23 ' A' ' 634' ' ' ILE . 38.1 t80 -69.44 164.28 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.496 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.22 125.93 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.761 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.01 133.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.58 -17.97 32.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.376 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -132.26 -165.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.2 OUTLIER -87.14 175.87 7.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -99.06 -176.92 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.783 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.476 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 21.1 m-20 -138.35 154.47 48.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.637 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.45 107.56 19.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 631' ' ' ASP . 71.4 mt -83.18 -38.16 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.606 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 147.84 161.47 9.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.535 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.495 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.4 -171.35 27.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.585 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . 0.534 ' SG ' ' CG ' ' A' ' 673' ' ' HIS . 16.4 p -153.31 154.36 34.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.492 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.2 mt-30 -105.85 136.35 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.862 HD11 ' NE2' ' A' ' 673' ' ' HIS . 12.2 mt -125.35 93.71 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.999 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.55 150.12 20.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.841 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.893 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.3 tt -65.56 -9.47 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 121.009 0.433 . . . . 0.0 111.342 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.1 t -91.94 15.07 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.14 0.495 . . . . 0.0 109.814 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.361 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.492 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.3 mtt-85 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.966 0.413 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.893 HD12 ' HA ' ' A' ' 648' ' ' ILE . 24.4 tp -86.33 -45.83 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 3.2 pttp -57.08 -57.36 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.585 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 19.0 t-160 -57.58 -55.03 40.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 44.6 t-105 -61.47 -64.71 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.158 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.66 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -53.58 -62.35 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.788 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -42.96 -29.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.063 -179.274 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.512 ' HA ' HD11 ' A' ' 669' ' ' ILE . 12.4 t -62.18 -45.22 94.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.763 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -55.61 -30.23 60.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.811 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.457 ' HG3' ' HA ' ' A' ' 660' ' ' GLU . 7.1 mtpt -79.94 -46.97 15.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.367 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.472 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.2 m-20 -99.05 42.69 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.666 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.532 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -42.32 -69.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -21.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.127 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.8 mmtm -94.53 138.1 32.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.499 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -86.22 132.0 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.474 -179.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.512 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.4 OUTLIER -113.21 149.7 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.352 179.447 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 670' ' ' GLU . 0.8 OUTLIER -152.18 148.83 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.233 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.536 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.68 166.32 8.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.878 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.855 ' NE1' HD13 ' A' ' 545' ' ' LEU . 92.3 m95 -98.98 131.12 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.862 ' NE2' HD11 ' A' ' 646' ' ' LEU . 79.2 m-70 -110.02 131.38 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 674' ' ' GLN . 0.9 OUTLIER -77.67 103.05 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 642' ' ' GLY . 86.3 mt -48.08 130.64 15.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.36 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -124.63 166.27 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.788 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -126.4 140.81 52.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.0 110.399 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.504 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -120.56 128.67 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.98 0.419 . . . . 0.0 111.79 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.957 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.9 tp -79.87 124.18 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.328 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.546 HG21 HG21 ' A' ' 627' ' ' ILE . 56.0 t -126.58 137.64 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.57 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.641 ' HB3' HD11 ' A' ' 562' ' ' ILE . 27.3 p -119.07 121.92 40.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.14 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 658' ' ' TRP . 13.2 mt -101.84 163.36 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 111.625 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.514 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.5 ttp 175.39 128.62 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.614 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.526 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 58.4 t80 -108.17 131.51 54.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.25 82.81 2.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.408 HG21 ' HD3' ' A' ' 665' ' ' LYS . 1.2 p -47.3 -36.63 9.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.3 tp60 -54.55 -57.05 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.375 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . 0.504 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 4.4 mm-40 -73.09 -15.82 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.423 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.5 41.88 65.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.526 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.91 171.15 33.79 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.572 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.611 HD12 ' H ' ' A' ' 558' ' ' ILE . 10.1 tp -96.14 160.78 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.834 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.1 mm -130.03 121.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.87 HG11 HD22 ' A' ' 582' ' ' LEU . 3.0 t -111.24 122.06 65.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.814 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -112.16 123.29 6.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.43 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.057 HD11 HD21 ' A' ' 582' ' ' LEU . 10.0 mm -103.52 96.46 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 3.0 mp -72.04 -75.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.349 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 2.7 ptm180 -155.85 175.65 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.905 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.595 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.3 p -131.36 160.54 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.51 145.74 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 112.316 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.511 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 55.06 59.41 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.282 179.46 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 1.023 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.0 mt -90.61 146.79 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.58 149.92 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -103.88 116.53 32.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.499 ' HG3' ' HB2' ' A' ' 639' ' ' ASP . 10.0 mmt -82.66 -23.95 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -88.75 158.6 18.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.11 -1.04 18.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -84.05 -12.64 54.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.705 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 96.82 3.2 59.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.24 -169.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 111.885 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.505 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 1.0 OUTLIER -157.46 179.55 9.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.419 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.47 ' HB3' ' HD2' ' A' ' 600' ' ' LYS . 0.7 OUTLIER -126.74 57.67 23.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.194 179.196 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.653 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.1 Cg_endo -66.72 149.26 83.72 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.467 2.778 . . . . 0.0 115.242 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.1 p90 -146.15 160.14 42.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.04 -1.436 . . . . 0.0 107.837 177.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 596' ' ' THR . 17.4 t -111.56 134.77 52.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.035 -0.666 . . . . 0.0 112.63 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 594' ' ' HIS . 6.2 mttm -117.41 141.3 48.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.751 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.057 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.9 132.54 52.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.385 -178.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.574 ' CD1' ' CD ' ' A' ' 585' ' ' LYS . 2.6 t90 -132.4 126.72 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.261 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.597 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 12.2 tp -113.28 114.04 26.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.095 0.474 . . . . 0.0 110.807 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.574 ' CD ' ' CD1' ' A' ' 583' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.976 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.934 0.397 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 582' ' ' LEU . 0.0 OUTLIER -83.57 154.14 23.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.501 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.812 ' HB2' HD12 ' A' ' 582' ' ' LEU . 15.2 m-70 -146.82 179.54 7.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.258 0.551 . . . . 0.0 112.047 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 120.81 2.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.916 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.742 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.7 p -80.8 174.71 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.212 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . 0.49 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 24.1 pt20 -47.68 153.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.659 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.537 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -88.19 128.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.672 ' O ' HG22 ' A' ' 602' ' ' THR . 0.1 OUTLIER -96.72 70.89 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.15 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.47 ' HD2' ' HB3' ' A' ' 577' ' ' ASP . 6.0 mmmm -51.62 146.01 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.078 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.422 ' HG2' ' C ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 31.03 74.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.976 179.311 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.795 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.2 t -177.74 143.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.798 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 1.023 HD13 ' O ' ' A' ' 567' ' ' LEU . 11.9 mt -117.32 -13.12 10.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 56.4 m-80 -130.52 50.61 6.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.564 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.795 ' HB3' HG21 ' A' ' 602' ' ' THR . 91.0 Cg_endo -80.23 -172.67 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.88 2.387 . . . . 0.0 112.906 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.475 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.2 OUTLIER -134.76 117.06 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.368 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 71.9 m-85 -81.49 -58.95 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 562' ' ' ILE . 4.7 t30 54.46 47.07 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.127 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.419 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.7 mm-40 -108.21 134.35 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.218 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -109.98 112.7 24.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.742 ' CE1' HG22 ' A' ' 596' ' ' THR . 47.9 m-85 -94.1 172.55 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.284 0.564 . . . . 0.0 112.22 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.834 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.9 t80 -144.74 121.75 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.121 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.1 155.38 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -110.21 64.16 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.888 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -129.44 146.86 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.795 179.594 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.512 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.7 OUTLIER -78.84 136.19 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.54 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 54.7 t-80 -46.64 -45.51 19.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -22.83 35.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.888 ' CB ' HD11 ' A' ' 615' ' ' ILE . 60.6 m-20 -102.49 -29.44 11.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.296 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.84 -67.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 179.693 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.863 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.82 -57.4 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.178 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -62.3 -19.69 63.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.61 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 615' ' ' ILE . 7.3 mmpt? -65.79 164.78 14.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.935 0.398 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.72 102.35 4.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.581 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 37.6 tp -80.08 129.11 34.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.914 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 583' ' ' TRP . 34.3 t70 -109.49 94.0 4.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.201 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -86.94 102.42 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.322 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 1.3 m -119.17 143.78 47.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.073 0.464 . . . . 0.0 111.862 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 580' ' ' VAL . 18.4 t -112.33 119.52 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.258 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 49.3 m95 -118.03 146.44 44.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 111.486 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.786 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.35 118.73 24.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.733 ' HE1' HG23 ' A' ' 634' ' ' ILE . 24.1 t80 -69.76 163.84 24.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -157.47 130.93 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.756 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.733 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.69 139.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . 0.424 ' C ' ' HG2' ' A' ' 636' ' ' LYS . . . 83.04 -15.47 32.75 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.724 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . 0.424 ' HG2' ' C ' ' A' ' 635' ' ' GLY . 0.0 OUTLIER -143.82 -163.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 3.5 m -79.97 -172.3 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.794 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.76 -167.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 1.1 m-20 -139.32 156.86 46.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.616 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -94.56 115.13 27.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' A' ' 631' ' ' ASP . 86.2 mt -95.39 -42.59 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.634 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 156.36 157.84 8.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -155.46 -167.3 16.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.72 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 12.8 p -157.49 142.27 16.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 37.6 mt-30 -93.79 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.889 HD12 HD11 ' A' ' 627' ' ' ILE . 14.5 mt -134.12 90.02 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 0.0 111.523 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.67 135.23 7.7 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.945 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -53.58 -20.73 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 116.981 0.39 . . . . 0.0 111.518 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 17.4 t -73.91 -2.77 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.364 -179.807 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.584 ' HB3' HD23 ' A' ' 646' ' ' LEU . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 648' ' ' ILE . 21.9 tp -79.55 -42.28 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 68.0 mttm -56.15 -50.68 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.552 ' CD2' ' HB ' ' A' ' 669' ' ' ILE . 13.8 t-160 -69.68 -63.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.524 ' HA ' HD12 ' A' ' 548' ' ' LEU . 47.4 t-105 -47.76 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.801 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.945 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -35.67 -55.09 0.71 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.392 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.766 ' HB3' HD12 ' A' ' 669' ' ' ILE . 6.2 mm-40 -38.19 -45.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.015 0.436 . . . . 0.0 110.531 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 549' ' ' MET . 18.9 t -48.55 -37.16 17.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.375 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.863 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.1 mp -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.933 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.455 ' HG2' ' OE1' ' A' ' 660' ' ' GLU . 2.5 pttt -74.83 -36.36 62.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.393 0.616 . . . . 0.0 109.427 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 667' ' ' LYS . 1.2 m-20 -112.28 66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.6 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.54 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 2.5 mptt -55.4 -75.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -53.11 -18.7 2.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 664' ' ' ASN . 8.0 mttm -96.17 140.61 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -92.98 145.61 24.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.518 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -117.26 108.53 25.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.255 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.519 ' HG2' ' HB3' ' A' ' 547' ' ' SER . 4.6 mt-10 -105.94 140.27 39.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.492 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -172.62 160.36 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.12 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.957 ' NE1' HD13 ' A' ' 545' ' ' LEU . 85.8 m95 -94.15 141.96 27.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.304 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.508 ' NE2' HD11 ' A' ' 646' ' ' LEU . 40.3 m-70 -120.1 131.77 55.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.35 102.15 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 642' ' ' GLY . 82.0 mt -48.93 132.81 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.312 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -123.5 163.06 21.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.947 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.676 -0.17 . . . . 0.0 112.676 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 8.4 mtmm -140.86 136.21 32.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.643 0.259 . . . . 0.0 110.343 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.634 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -113.68 127.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.721 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.93 ' HG ' HD13 ' A' ' 562' ' ' ILE . 16.9 tp -79.6 123.18 27.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.417 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.02 136.6 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.682 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.9 p -114.84 118.15 32.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.29 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 549' ' ' MET . 9.8 mt -102.47 157.99 16.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.013 0.435 . . . . 0.0 111.393 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.497 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.0 tmm? 175.72 126.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 617' ' ' HIS . 52.1 t80 -105.36 128.97 53.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.868 0.366 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . 0.457 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -101.14 96.32 7.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.833 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.507 HG22 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -62.64 -36.84 84.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 109.824 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . 0.453 ' NE2' ' H ' ' A' ' 553' ' ' GLN . 3.5 mp0 -49.81 -44.13 49.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.791 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -16.23 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.148 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.84 41.35 49.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -152.62 169.18 31.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.562 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.1 tp -93.76 160.13 14.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.714 0.293 . . . . 0.0 110.56 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.825 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -130.08 123.05 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.839 HG11 HD22 ' A' ' 582' ' ' LEU . 11.1 t -113.35 119.63 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.551 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -111.75 115.23 3.81 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.532 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.058 HD11 HD21 ' A' ' 582' ' ' LEU . 42.2 mm -92.61 96.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.93 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.5 mp -71.09 -73.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.16 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 1.5 ptm180 -161.68 175.07 12.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 111.792 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.597 ' SG ' HD11 ' A' ' 567' ' ' LEU . 5.6 p -129.57 159.34 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.903 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.4 m -142.24 145.98 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.192 0.52 . . . . 0.0 112.315 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER 55.12 54.06 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.299 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 1.014 ' O ' HD13 ' A' ' 603' ' ' LEU . 11.7 mt -84.62 146.0 27.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.04 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -65.95 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.327 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.628 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -117.63 110.09 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.978 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.486 ' HE3' ' OG ' ' A' ' 576' ' ' SER . 2.3 mtm -86.12 -25.66 25.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -67.46 150.68 48.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.629 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.58 -6.79 21.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -83.98 -9.34 58.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.506 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 90.85 7.59 66.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.296 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.628 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -125.88 -169.43 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 0.0 111.992 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.537 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.0 OUTLIER -153.5 -179.78 8.08 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.118 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.516 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 3.5 m-20 -125.55 56.83 15.64 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.641 ' HG3' HD12 ' A' ' 567' ' ' LEU . 30.5 Cg_endo -64.55 145.45 87.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.651 2.901 . . . . 0.0 115.733 -177.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 19.1 p90 -146.18 159.47 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.633 177.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.574 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 21.2 t -110.92 131.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.429 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.3 OUTLIER -116.75 130.35 56.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.864 179.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.058 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.3 136.52 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.698 -178.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.533 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.8 t90 -143.74 118.33 9.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.589 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 15.0 tp -93.99 111.24 22.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.183 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.634 0.254 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.52 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 14.0 mttt -92.72 159.76 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.772 ' HB2' HD12 ' A' ' 582' ' ' LEU . 30.8 m-70 -154.12 173.73 15.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.051 0.453 . . . . 0.0 111.603 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.503 ' HG3' ' HE2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.99 108.12 1.92 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.078 179.361 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.814 HG21 HG21 ' A' ' 561' ' ' ILE . 10.3 p -63.48 159.81 17.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.953 0.406 . . . . 0.0 111.091 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -42.73 143.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.314 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.522 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.61 120.87 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.113 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 602' ' ' THR . 12.1 mmtt -91.3 77.31 5.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.12 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.473 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 11.8 mmtm -59.31 151.24 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.738 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 600' ' ' LYS . 0.2 OUTLIER 31.98 69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.882 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.787 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.9 t -177.7 144.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.924 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 1.014 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.7 mt -119.67 -12.38 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.563 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.9 m-80 -128.23 45.56 1.73 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.51 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.787 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.3 Cg_endo -74.52 -178.84 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.907 2.405 . . . . 0.0 112.813 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 29.6 tt0 -126.24 118.2 24.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.39 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.659 ' CB ' HG22 ' A' ' 561' ' ' ILE . 67.1 m-85 -83.63 -59.9 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.2 t-20 52.46 45.05 29.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.269 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 15.4 mm-40 -107.15 127.77 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.155 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.95 113.81 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 52.4 m-85 -95.62 173.05 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 112.148 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.825 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.6 t80 -144.02 121.14 11.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.236 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 7.6 m-85 -102.63 153.27 20.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.638 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.97 60.67 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.863 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -124.09 137.42 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.7 132.68 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 550' ' ' TYR . 44.1 t-80 -45.4 -46.03 13.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.458 ' O ' ' HE3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -59.27 -15.57 16.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.254 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.863 ' CB ' HD11 ' A' ' 615' ' ' ILE . 86.0 m-20 -105.3 -28.99 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.578 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.589 HD23 HG12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.19 -66.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.71 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.802 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -42.61 -41.59 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 618' ' ' SER . 0.0 OUTLIER -70.63 -14.08 62.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 111.22 -179.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.746 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.3 mmpt? -81.93 -177.0 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.408 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.79 105.04 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.173 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 43.4 tp -79.17 118.42 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 9.3 t0 -106.62 99.26 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.593 HD11 HD12 ' A' ' 646' ' ' LEU . 2.3 mp -93.31 106.3 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.497 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 59.8 p -117.72 131.74 56.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.5 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.548 ' CG2' HD21 ' A' ' 675' ' ' LEU . 11.9 t -101.31 128.15 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.323 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 53.7 m95 -122.83 141.97 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.926 ' HB2' HD11 ' A' ' 641' ' ' ILE . 1.2 t0 -85.28 106.79 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.423 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.705 ' HE1' HG23 ' A' ' 634' ' ' ILE . 33.7 t80 -57.91 164.21 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.322 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -160.28 126.74 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.705 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.52 136.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -21.85 28.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -170.96 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.2 p -80.06 148.98 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -56.42 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 78.7 m-20 -141.46 150.97 42.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.67 116.96 29.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.926 HD11 ' HB2' ' A' ' 631' ' ' ASP . 69.4 mt -95.61 -43.36 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.732 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 154.57 161.64 10.64 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.573 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.83 -165.31 18.5 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.638 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.86 156.1 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.49 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 12.6 pt20 -102.09 141.99 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.604 HD21 ' CE1' ' A' ' 673' ' ' HIS . 14.1 mt -129.53 89.97 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.36 143.3 14.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.702 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.882 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.8 OUTLIER -60.13 -12.26 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.882 0.341 . . . . 0.0 111.663 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 34.2 t -87.1 13.04 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 109.984 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.186 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.25 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.941 0.401 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.5 tp -83.27 -47.95 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 10.9 mttt -51.34 -63.88 0.99 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.584 ' CD2' HG21 ' A' ' 669' ' ' ILE . 14.5 t-160 -54.36 -53.09 58.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.459 . . . . 0.0 110.809 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 58.8 t-105 -60.45 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.784 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.38 -60.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.056 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.56 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.5 pt-20 -42.89 -34.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.064 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 34.0 t -56.69 -41.65 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.802 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -60.63 -25.69 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.936 178.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.38 17.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.812 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.533 ' ND2' ' HD3' ' A' ' 667' ' ' LYS . 5.4 m-20 -106.27 59.32 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.666 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 2.7 mppt? -49.7 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 3.7 p30 -48.95 -21.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.387 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.533 ' HD3' ' ND2' ' A' ' 664' ' ' ASN . 39.2 mttt -86.21 130.19 34.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.757 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.472 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 0.2 OUTLIER -79.95 153.99 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.47 . . . . 0.0 111.494 -179.529 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.584 HG21 ' CD2' ' A' ' 657' ' ' HIS . 0.7 OUTLIER -126.78 159.37 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.315 179.362 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.544 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 0.0 OUTLIER -158.81 125.51 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 670' ' ' GLU . 0.6 OUTLIER -153.69 163.78 39.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.518 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.922 ' CE2' HD13 ' A' ' 545' ' ' LEU . 84.9 m95 -102.61 132.35 48.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.68 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.604 ' CE1' HD21 ' A' ' 646' ' ' LEU . 87.1 m-70 -113.91 131.19 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.43 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 1.4 pt20 -79.28 103.33 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.732 HD22 ' O ' ' A' ' 642' ' ' GLY . 80.0 mt -44.41 130.67 6.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.249 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.7 mt-30 -127.5 160.69 30.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.875 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.58 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.639 -0.184 . . . . 0.0 112.639 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.83 137.65 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.658 0.266 . . . . 0.0 110.416 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.658 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -114.34 129.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.657 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.994 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.7 tp -79.64 123.73 27.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 89.7 t -121.68 131.46 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.667 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.727 ' HB3' HD11 ' A' ' 562' ' ' ILE . 92.6 p -113.15 121.67 45.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.908 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.518 ' CB ' ' SG ' ' A' ' 661' ' ' CYS . 4.5 mt -101.68 167.99 9.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.878 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.555 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER 171.44 132.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.322 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 50.7 t80 -111.51 138.72 47.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.106 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.61 97.82 6.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.617 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.54 HG22 ' HD2' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.74 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 0.0 110.15 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -43.99 51.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.109 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -92.28 -19.12 22.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.39 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.56 39.72 29.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.493 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -149.62 169.48 29.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.705 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 558' ' ' ILE . 6.7 tp -95.6 162.08 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.705 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.849 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -130.04 123.48 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.99 0.424 . . . . 0.0 111.035 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.681 HG11 HD22 ' A' ' 582' ' ' LEU . 7.3 t -114.2 119.27 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.828 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.27 117.49 4.72 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.403 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.053 HD11 HD21 ' A' ' 582' ' ' LEU . 49.2 mm -95.35 97.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.901 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.5 mp -71.76 -74.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -159.57 176.45 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 112.02 -178.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.568 ' SG ' HD11 ' A' ' 567' ' ' LEU . 7.4 p -131.36 159.13 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.934 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.87 145.05 23.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 112.277 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 3.8 t60 56.65 59.17 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.877 ' O ' HD13 ' A' ' 603' ' ' LEU . 12.2 mt -90.12 161.53 15.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.53 ' HB3' ' HE1' ' A' ' 570' ' ' MET . . . -80.11 152.09 29.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.613 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -117.86 109.43 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.783 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.53 ' HE1' ' HB3' ' A' ' 568' ' ' ALA . 0.0 OUTLIER -79.06 -31.31 44.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.366 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -67.04 150.09 49.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.78 -5.75 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -82.9 -11.32 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.511 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.84 5.59 59.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.61 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.613 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.53 -169.33 1.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 112.154 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.503 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.6 OUTLIER -157.11 176.27 12.96 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.406 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.482 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 28.9 m-20 -120.41 58.4 6.09 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.658 ' HG3' HD12 ' A' ' 567' ' ' LEU . 30.2 Cg_endo -64.66 136.86 51.69 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 123.518 2.812 . . . . 0.0 115.347 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.623 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 17.5 p90 -135.76 161.13 36.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.832 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.598 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 24.7 t -113.65 138.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.721 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.4 mttp -117.3 148.52 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.626 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.053 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -136.81 132.15 34.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.9 0.381 . . . . 0.0 111.3 -179.465 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.542 ' HB2' ' CG ' ' A' ' 593' ' ' LYS . 4.1 t90 -142.2 118.33 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.188 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.651 HD11 ' CB ' ' A' ' 623' ' ' LYS . 13.9 tp -97.22 109.06 21.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.915 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.535 ' CG ' ' OG ' ' A' ' 624' ' ' SER . 8.3 ptmt . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 121.215 0.531 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.827 0.346 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 42.0 mttt -76.6 151.35 36.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.825 ' HB2' HD12 ' A' ' 582' ' ' LEU . 13.1 m-70 -144.93 -178.69 6.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.206 0.526 . . . . 0.0 111.639 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.25 130.66 5.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.156 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 580' ' ' VAL . 4.5 p -90.46 167.34 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -45.05 149.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.709 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.631 HD12 ' CD2' ' A' ' 632' ' ' TYR . 10.5 mm -84.38 125.33 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.51 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 602' ' ' THR . 6.9 mmpt? -92.5 75.14 5.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.546 ' HE3' ' CD1' ' A' ' 634' ' ' ILE . 28.3 mmtm -52.36 143.84 14.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.045 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.423 ' N ' ' OD1' ' A' ' 577' ' ' ASP . 0.0 OUTLIER 32.16 74.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.883 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.814 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.0 t -178.09 145.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.877 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.1 mt -118.86 -12.58 9.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 38.7 m-80 -127.82 46.18 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.814 ' HB3' HG21 ' A' ' 602' ' ' THR . 71.1 Cg_endo -74.66 -178.89 4.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.969 2.446 . . . . 0.0 113.29 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.9 tt0 -127.25 118.15 23.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.401 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.598 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 67.2 m-85 -85.28 -60.75 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.226 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 561' ' ' ILE . 13.0 t-20 53.82 46.47 25.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.029 0.443 . . . . 0.0 110.21 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.473 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.4 OUTLIER -107.39 127.89 53.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.235 -179.543 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.94 114.4 28.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.534 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 44.4 m-85 -95.61 174.45 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.288 0.566 . . . . 0.0 112.039 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.849 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.2 t80 -144.47 119.21 9.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.243 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.572 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.0 m-85 -100.56 151.91 21.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.655 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.45 67.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.217 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.888 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -131.89 142.32 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 619' ' ' ASP . 19.9 mtmt -72.37 129.96 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.586 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 47.0 t-80 -42.73 -47.22 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . 0.441 ' O ' ' HE2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -54.68 -22.72 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.888 ' CB ' HD11 ' A' ' 615' ' ' ILE . 20.5 m-20 -101.09 -28.83 12.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.626 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.63 -67.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.687 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.817 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.86 -48.68 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.508 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.46 -15.97 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -179.177 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.8 mmpt? -76.72 173.78 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.11 0.481 . . . . 0.0 111.374 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . 0.535 ' OG ' ' CG ' ' A' ' 585' ' ' LYS . 0.4 OUTLIER -150.38 109.42 3.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.043 178.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 15.5 tp -79.81 149.79 30.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.875 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.04 95.05 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.008 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.442 HD11 HD23 ' A' ' 625' ' ' LEU . 2.8 mp -87.93 101.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.443 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.486 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.7 m -112.6 136.62 51.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.531 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.59 HG22 HG22 ' A' ' 580' ' ' VAL . 14.0 t -108.95 125.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.347 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.623 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.8 m95 -123.69 149.61 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.718 0.294 . . . . 0.0 111.735 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.53 ' CB ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -83.74 109.04 17.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.851 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.674 ' HE1' HG23 ' A' ' 634' ' ' ILE . 28.6 t80 -69.93 161.63 29.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.428 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.603 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.16 130.39 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.47 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.674 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.49 134.06 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 111.289 -179.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.78 40.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.61 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -168.89 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.958 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 15.0 m -81.05 -162.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -117.61 -164.1 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -158.19 138.17 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 9.3 t80 -79.51 121.2 24.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.884 0.374 . . . . 0.0 111.184 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 50.5 mt -96.9 -35.39 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.69 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.506 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 147.45 159.74 8.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.693 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -167.11 -165.04 23.85 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.404 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.1 m -161.83 178.51 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -124.6 142.67 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.756 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.851 HD11 ' NE2' ' A' ' 673' ' ' HIS . 12.0 mt -128.82 103.17 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -148.96 145.03 12.92 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.754 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.93 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -57.36 -14.75 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 120.915 0.388 . . . . 0.0 111.568 -179.421 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 47.8 t -81.1 5.29 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.092 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.184 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.399 -179.79 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 648' ' ' ILE . 24.9 tp -60.04 -35.52 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 3.1 mtpp -63.31 -50.44 70.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.551 ' ND1' ' HG2' ' A' ' 671' ' ' ARG . 22.7 t-160 -65.69 -62.55 1.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.267 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -50.22 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.236 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.93 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.08 -64.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.737 -179.641 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.54 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.5 pt-20 -42.25 -31.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.472 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.673 ' HA ' HD11 ' A' ' 669' ' ' ILE . 76.1 m -57.35 -42.68 82.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.817 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.2 mp -60.6 -28.95 68.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.144 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.542 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 10.9 pttt -83.19 -47.02 12.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.979 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.542 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 92.6 m-20 -106.19 58.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.488 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.586 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.5 OUTLIER -57.62 -73.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.165 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.23 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.779 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.0 OUTLIER -98.82 137.09 37.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 110.814 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.555 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.08 142.01 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.2 OUTLIER -109.26 168.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.423 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.456 ' H ' HG22 ' A' ' 669' ' ' ILE . 0.6 OUTLIER -158.13 135.8 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.398 . . . . 0.0 111.201 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.551 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -163.89 156.45 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.935 179.703 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.994 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.2 m95 -96.72 135.37 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.851 ' NE2' HD11 ' A' ' 646' ' ' LEU . 94.0 m-70 -115.31 130.17 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 111.99 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 642' ' ' GLY . 74.0 mt -59.28 136.12 57.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -126.52 162.06 26.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.655 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.602 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 112.763 -0.135 . . . . 0.0 112.763 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -126.6 137.97 53.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.61 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -116.6 126.66 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.077 0.465 . . . . 0.0 111.821 -179.458 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.926 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.5 tp -79.66 125.74 30.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.359 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 54.2 t -123.21 140.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.365 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.642 ' HB2' HD11 ' A' ' 562' ' ' ILE . 37.4 t -116.93 143.86 45.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.239 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.493 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 81.7 mt -128.6 160.95 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.117 0.484 . . . . 0.0 111.787 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.545 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 2.4 tmm? 175.95 107.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 54.9 t80 -83.25 130.9 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.494 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . 0.417 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.1 OUTLIER -104.19 90.61 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.854 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.619 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.1 p -54.87 -38.07 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 0.0 110.361 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -46.27 56.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.66 -16.03 33.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.592 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.29 58.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.509 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.23 172.75 32.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.547 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.662 HD13 HD11 ' A' ' 620' ' ' LEU . 7.0 tp -102.36 134.33 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 111.06 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.833 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -105.03 116.86 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.638 ' CG1' HD21 ' A' ' 625' ' ' LEU . 1.5 t -98.41 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.038 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -136.66 107.32 0.6 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.94 -1.124 . . . . 0.0 113.704 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 0.98 HD11 HD21 ' A' ' 582' ' ' LEU . 12.4 mm -86.59 97.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.882 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mp -75.98 -77.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.2 OUTLIER -155.66 170.24 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.058 0.456 . . . . 0.0 111.617 -179.064 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.576 ' SG ' HD11 ' A' ' 567' ' ' LEU . 2.4 p -127.53 158.73 36.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.08 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.9 m -143.22 144.37 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.228 0.537 . . . . 0.0 112.232 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 62.37 50.85 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.331 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.983 ' O ' HD13 ' A' ' 603' ' ' LEU . 10.9 mt -86.27 141.97 28.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.183 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.99 156.38 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.496 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.28 115.55 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.493 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.3 mmt -83.85 -22.62 31.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.811 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.83 157.65 18.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.02 -2.9 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -11.27 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.23 7.0 59.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.578 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.601 ' C ' HD21 ' A' ' 603' ' ' LEU . 2.8 m-85 -121.41 -168.8 1.74 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.758 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.723 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.2 m -158.74 -179.36 7.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.346 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.484 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 1.7 m-20 -126.55 56.95 18.6 Favored Pre-proline 0 C--N 1.33 -0.239 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.624 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.0 Cg_endo -66.89 144.97 72.85 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.57 2.847 . . . . 0.0 115.539 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 13.1 p90 -142.46 161.04 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.498 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 629' ' ' VAL . 16.7 t -113.58 137.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.581 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.0 mttp -116.19 133.06 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.641 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 0.98 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -119.78 136.35 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 111.512 -178.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.554 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.4 t90 -145.57 115.05 7.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 623' ' ' LYS . 13.2 tp -92.5 113.72 26.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 624' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.704 0.288 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -77.87 138.72 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.803 ' HB2' HD12 ' A' ' 582' ' ' LEU . 5.0 m-70 -132.61 178.65 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.48 128.9 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.612 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.5 p -87.9 168.83 12.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.996 0.426 . . . . 0.0 111.155 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -44.69 156.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.562 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -89.83 125.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.595 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -94.19 72.42 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 109.748 179.058 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.484 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 8.6 mmtp -57.97 148.99 24.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.011 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.477 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.4 mmtm 38.55 69.48 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.211 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.775 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.9 t 179.09 142.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.835 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.983 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.9 mt -117.18 -11.73 10.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.535 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.4 m-80 -128.65 47.43 2.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.775 ' HB3' HG21 ' A' ' 602' ' ' THR . 98.7 Cg_endo -79.26 -177.08 3.63 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.872 2.381 . . . . 0.0 113.093 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 13.3 tt0 -132.07 114.84 15.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.287 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.885 ' HB2' HG22 ' A' ' 561' ' ' ILE . 67.6 m-85 -80.02 -50.34 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.488 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.4 p-10 46.15 50.32 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 0.0 110.255 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.472 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.8 mm-40 -110.04 136.85 48.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.124 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -109.53 115.67 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.612 ' CE1' HG22 ' A' ' 596' ' ' THR . 38.9 m-85 -97.04 176.91 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.247 0.546 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.833 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.3 t80 -144.81 126.44 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.598 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 9.8 m-85 -108.71 155.36 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -111.51 61.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.909 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.897 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.1 tp -125.25 142.98 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -71.8 135.33 46.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 29.6 t-80 -46.69 -49.26 19.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.361 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -12.19 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.608 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.897 ' CB ' HD11 ' A' ' 615' ' ' ILE . 5.1 m-20 -106.7 -27.07 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.61 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.662 HD11 HD13 ' A' ' 557' ' ' LEU . 0.2 OUTLIER -36.25 -67.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.379 179.328 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.839 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -41.87 -40.48 2.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.633 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -15.41 63.41 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.898 ' HB2' HD11 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -90.22 179.92 5.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.711 -179.51 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 585' ' ' LYS . 0.7 OUTLIER -150.82 111.7 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.638 HD21 ' CG1' ' A' ' 559' ' ' VAL . 42.9 tp -79.46 114.0 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -98.04 105.27 17.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.594 HD11 HD12 ' A' ' 646' ' ' LEU . 3.2 mp -95.89 108.73 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.501 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 70.9 m -115.26 147.67 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 580' ' ' VAL . 17.2 t -123.23 120.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.649 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.589 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 37.7 m95 -119.14 144.46 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.516 -179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.773 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.41 114.06 21.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.031 0.444 . . . . 0.0 110.426 179.233 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.722 ' HE1' HG23 ' A' ' 634' ' ' ILE . 28.4 t80 -70.54 162.4 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.281 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -160.0 126.28 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.718 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.722 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.69 135.3 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 111.212 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.89 -15.39 32.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.666 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 -165.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.45 158.55 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -164.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.487 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 5.3 m-20 -160.25 141.05 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 6.2 t80 -80.0 123.87 28.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.208 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.773 HD11 ' HB2' ' A' ' 631' ' ' ASP . 27.2 mt -102.05 -36.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.482 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.604 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 144.67 160.06 8.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.61 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -153.94 -161.09 10.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.58 153.81 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.478 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 1.5 pt20 -106.72 137.8 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 1.074 HD11 ' NE2' ' A' ' 673' ' ' HIS . 13.4 mt -124.17 89.9 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.16 143.54 15.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.907 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.913 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.9 OUTLIER -57.36 -13.93 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 120.826 0.346 . . . . 0.0 111.848 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 38.9 t -88.49 15.62 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.036 0.446 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.189 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.464 -179.695 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 648' ' ' ILE . 20.2 tp -88.23 -42.42 12.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.092 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 42.1 mttt -55.49 -57.33 12.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.493 ' NE2' ' HG ' ' A' ' 548' ' ' LEU . 17.8 t-160 -59.56 -55.56 32.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 110.976 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 66.5 t-105 -59.01 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.278 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.827 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -40.1 -63.99 0.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.545 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.7 pt-20 -43.41 -32.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.299 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 14.0 t -60.21 -38.65 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.658 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.839 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -61.62 -28.97 69.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.059 179.013 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -39.76 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.872 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.551 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.5 m-20 -104.68 48.67 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.619 ' HD2' HG22 ' A' ' 552' ' ' THR . 21.8 mtmt -36.4 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . 0.439 ' O ' ' SD ' ' A' ' 549' ' ' MET . 3.3 t0 -45.33 -24.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.551 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 2.0 mmmm -81.13 134.71 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.545 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.18 158.37 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 0.0 111.501 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.7 OUTLIER -139.18 155.97 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.41 179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.653 ' HG2' HD11 ' A' ' 562' ' ' ILE . 21.8 mt-10 -153.16 132.21 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 0.0 111.075 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.51 ' O ' HD12 ' A' ' 545' ' ' LEU . 2.4 mmt-85 -153.79 168.5 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.369 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.926 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.8 m95 -105.64 133.01 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.763 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 1.074 ' NE2' HD11 ' A' ' 646' ' ' LEU . 48.0 m-70 -115.43 129.02 56.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.3 115.1 16.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 642' ' ' GLY . 69.8 mt -58.59 134.47 56.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -126.87 160.13 31.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.668 -0.173 . . . . 0.0 112.668 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -124.75 138.6 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.616 0.246 . . . . 0.0 110.437 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.554 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -116.53 131.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.078 0.466 . . . . 0.0 111.695 -179.59 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.923 HD13 ' CE2' ' A' ' 672' ' ' TRP . 14.6 tp -86.87 121.49 29.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.481 HG21 HG21 ' A' ' 627' ' ' ILE . 55.7 t -121.68 132.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.727 ' HB3' HD11 ' A' ' 562' ' ' ILE . 82.6 p -113.58 122.07 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 658' ' ' TRP . 19.3 mt -95.73 165.82 12.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.487 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.541 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 1.3 ttp 173.61 119.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.065 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 53.3 t80 -102.64 136.56 42.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.004 0.431 . . . . 0.0 111.245 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.9 97.14 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.744 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.551 HG22 ' HD3' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.91 -34.71 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.122 0.487 . . . . 0.0 110.084 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.03 -42.45 28.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.052 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -97.23 -19.82 18.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.585 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 79.29 38.41 21.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.379 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.533 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -146.43 169.03 27.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.524 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.0 tp -95.78 159.0 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.756 0.312 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.848 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -129.02 118.53 46.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.914 HG11 HD22 ' A' ' 582' ' ' LEU . 11.3 t -106.03 120.59 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.755 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -107.56 123.16 7.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.278 -0.963 . . . . 0.0 113.433 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 582' ' ' LEU . 11.8 mm -100.95 95.47 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.796 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.8 mp -72.09 -76.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.502 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.1 OUTLIER -159.03 167.65 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 111.914 -179.006 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.8 p -124.57 159.84 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.849 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.28 148.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.285 0.564 . . . . 0.0 112.482 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.523 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 63.71 44.29 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.49 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.55 HD12 ' HG3' ' A' ' 578' ' ' PRO . 36.8 mt -84.15 155.21 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -79.19 157.19 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.35 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.603 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -119.76 108.85 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.669 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.3 mtm -87.21 -23.88 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.016 0.436 . . . . 0.0 110.689 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.91 157.78 29.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.88 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.27 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.47 -5.28 43.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.984 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.503 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 89.58 6.45 70.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.287 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.603 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.73 -169.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 111.866 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.608 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.4 OUTLIER -154.04 171.91 18.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.306 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.538 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.5 m-20 -119.01 60.53 4.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.55 ' HG3' HD12 ' A' ' 567' ' ' LEU . 35.7 Cg_endo -66.69 143.16 66.8 Favored 'Trans proline' 0 CA--C 1.526 0.081 0 C-N-CA 123.41 2.74 . . . . 0.0 115.195 -177.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.0 p90 -143.55 160.67 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.068 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 596' ' ' THR . 19.7 t -112.92 131.23 65.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.754 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 2.0 mttm -114.44 130.6 56.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.269 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -116.24 140.66 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 111.827 -178.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.545 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.8 t90 -148.61 114.39 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.117 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.3 tp -91.21 120.28 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.586 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . . . . . . . . . 2.3 mttp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.341 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.749 0.309 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 8.0 mptt -76.06 164.38 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 5.6 m-70 -160.17 172.81 16.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.164 0.507 . . . . 0.0 111.905 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.491 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -160.64 123.72 3.36 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.838 179.336 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.758 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.5 p -86.17 174.04 9.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.996 0.427 . . . . 0.0 111.406 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -47.3 141.67 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.676 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.696 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.8 mm -78.46 124.12 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.508 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.56 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -93.25 71.39 4.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.869 179.127 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.526 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.2 OUTLIER -66.29 141.93 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.656 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.492 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 56.53 62.65 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.664 179.42 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.857 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.3 t 178.46 148.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.962 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.608 HD21 ' N ' ' A' ' 576' ' ' SER . 16.9 mt -118.53 -13.17 9.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.486 ' ND2' ' N ' ' A' ' 604' ' ' ASN . 0.0 OUTLIER -133.74 52.03 7.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.857 ' HB3' HG21 ' A' ' 602' ' ' THR . 74.0 Cg_endo -77.93 -172.91 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.945 2.43 . . . . 0.0 113.238 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 33.9 tt0 -131.27 119.32 21.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.367 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.792 ' HB2' HG22 ' A' ' 561' ' ' ILE . 69.3 m-85 -85.35 -53.41 5.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.395 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.7 OUTLIER 48.37 50.71 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.171 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.48 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.2 mt-10 -110.91 139.88 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.224 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.758 ' CE1' HG22 ' A' ' 596' ' ' THR . 29.8 m-85 -90.4 172.28 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.889 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.848 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.3 t80 -142.9 121.17 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.526 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.595 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.8 m-85 -102.86 154.01 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -108.14 65.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.869 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -131.79 143.91 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -75.13 134.55 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.581 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 43.0 t-80 -45.42 -44.04 11.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -21.72 58.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.869 ' CB ' HD11 ' A' ' 615' ' ' ILE . 58.3 m-20 -102.36 -29.26 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.684 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.56 -67.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.811 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.3 -52.19 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.686 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . 0.509 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -64.16 -15.62 60.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.263 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.742 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.2 OUTLIER -71.5 -179.57 2.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.659 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 54.3 p -154.9 104.63 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.316 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 646' ' ' LEU . 62.7 tp -80.42 122.26 26.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.21 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -108.04 97.37 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.688 ' H ' HD12 ' A' ' 627' ' ' ILE . 2.4 mp -91.72 112.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.512 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 10.3 m -124.66 139.47 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 111.361 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.636 ' CG2' HD21 ' A' ' 675' ' ' LEU . 4.0 t -108.47 129.59 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 48.1 m95 -126.32 151.16 47.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 111.259 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.547 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.3 OUTLIER -87.92 133.21 33.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.132 0.491 . . . . 0.0 110.598 179.502 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.696 ' CG ' HG21 ' A' ' 598' ' ' ILE . 19.0 t80 -89.07 148.65 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.964 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.495 ' HB2' ' HB2' ' A' ' 636' ' ' LYS . 50.7 m-20 -155.18 106.27 2.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.563 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -48.95 128.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.211 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.75 -7.37 50.11 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.76 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 633' ' ' ASP . 5.1 mmtt -106.35 175.63 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.059 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 15.7 m -96.61 30.91 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.477 ' OD1' ' HA ' ' A' ' 632' ' ' TYR . 90.7 m-20 62.0 -176.8 0.13 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 631' ' ' ASP . 2.9 m-20 -144.79 154.58 42.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.204 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.598 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.19 119.35 32.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.69 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.669 HG12 ' HE1' ' A' ' 570' ' ' MET . 64.3 mt -99.36 -38.85 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.676 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.75 160.46 9.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.45 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.14 -168.36 23.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.664 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.03 12.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.487 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 3.5 pt20 -120.27 156.67 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.963 HD11 ' NE2' ' A' ' 673' ' ' HIS . 47.6 mt -146.76 94.3 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.08 137.71 9.02 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.985 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.2 tt -52.44 -19.03 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 120.825 0.345 . . . . 0.0 111.764 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 26.0 t -74.54 -1.85 23.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 0.0 110.334 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 654' ' ' ARG . . . . . . . . 0 N--CA 1.455 -0.182 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.405 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.517 ' HB2' ' HB1' ' A' ' 650' ' ' ALA . 2.3 mmt85 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.952 0.405 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 648' ' ' ILE . 25.3 tp -89.93 -62.11 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.533 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 1.7 ptpt -42.42 -52.95 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.082 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.67 ' CD2' HG22 ' A' ' 669' ' ' ILE . 6.3 t-80 -63.61 -62.02 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.65 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 55.7 t-105 -55.13 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.993 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.985 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -31.18 -57.67 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.939 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.788 ' HB3' HD12 ' A' ' 669' ' ' ILE . 25.3 mm-40 -38.03 -48.87 1.24 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.165 0.507 . . . . 0.0 110.342 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 33.6 t -43.31 -37.25 2.16 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.26 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.811 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.6 mp -71.4 -35.69 71.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.751 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.498 ' CD ' ' OE1' ' A' ' 660' ' ' GLU . 0.2 OUTLIER -79.38 -36.66 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.938 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.566 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.6 m-20 -108.66 48.95 0.83 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 3.4 mtmt -36.22 -81.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -50.92 -20.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.566 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 3.0 mmtt -88.16 158.29 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.473 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.1 OUTLIER -105.06 143.85 32.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 0.0 111.671 -179.436 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.2 mm -123.66 92.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.113 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 10.3 pm0 -103.58 133.67 48.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 111.819 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 545' ' ' LEU . 15.5 mmt180 -152.25 178.84 9.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.208 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.923 ' CE2' HD13 ' A' ' 545' ' ' LEU . 87.6 m95 -110.64 131.94 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.963 ' NE2' HD11 ' A' ' 646' ' ' LEU . 4.4 m-70 -115.41 129.68 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.33 102.23 5.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.676 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.2 mt -45.33 130.45 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.466 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 66.9 mt-30 -119.64 174.41 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.635 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.727 -0.149 . . . . 0.0 112.727 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -124.29 143.42 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.515 HG23 HG23 ' A' ' 546' ' ' VAL . 0.0 OUTLIER -120.16 128.12 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.055 0.455 . . . . 0.0 112.006 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.961 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.3 tp -79.53 116.07 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.515 HG23 HG23 ' A' ' 544' ' ' ILE . 64.2 t -117.26 129.79 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.726 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.6 OUTLIER -106.8 147.86 29.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.109 179.187 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.485 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 26.2 mt -130.06 161.77 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 111.728 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 558' ' ' ILE . 13.5 ttp 174.85 133.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.099 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.525 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 48.0 t80 -109.85 132.53 54.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 111.44 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.25 79.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.891 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.55 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -45.89 -41.41 11.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.202 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -46.11 54.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.136 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.64 -19.26 33.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.07 39.42 32.48 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.357 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.525 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.64 168.25 33.75 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.743 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 558' ' ' ILE . 10.1 tp -93.67 161.6 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.847 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -129.96 119.2 46.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.964 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.639 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.7 t -107.01 120.47 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -106.32 109.63 3.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.376 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 0.918 HG21 HG21 ' A' ' 596' ' ' THR . 3.7 mm -87.92 98.01 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.844 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -75.5 -78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.066 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.48 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -158.7 170.83 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.42 . . . . 0.0 112.042 -178.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.712 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.8 p -128.42 160.55 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.947 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.78 150.07 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 60.95 43.34 11.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.507 179.233 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.712 HD11 ' SG ' ' A' ' 564' ' ' CYS . 66.3 mt -81.48 162.8 23.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.68 163.32 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 575' ' ' TYR . . . -116.41 118.46 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.051 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -84.28 -21.33 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.75 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -91.42 159.07 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.71 -1.35 18.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 -12.47 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.719 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.6 4.81 60.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.62 -169.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 111.874 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.567 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.8 OUTLIER -159.55 176.91 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.452 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 2.6 m-20 -119.92 57.17 4.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.545 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 29.8 Cg_endo -64.63 138.51 59.39 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 123.318 2.679 . . . . 0.0 115.342 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 10.0 p90 -137.7 162.44 33.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.364 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.519 HG23 ' CE2' ' A' ' 607' ' ' PHE . 20.4 t -113.5 129.26 69.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.599 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.579 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.3 mttp -111.61 130.07 55.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.913 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 0.854 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -121.75 136.34 54.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 0.0 111.695 -179.088 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 3.3 t90 -142.78 119.37 11.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.672 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 623' ' ' LYS . 19.1 tp -90.63 110.86 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.977 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.452 ' HG3' ' OG ' ' A' ' 624' ' ' SER . 1.8 mttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.738 0.304 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 2.8 mmtp -69.61 155.41 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 7.5 m-70 -156.62 170.2 22.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -161.07 119.0 2.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.401 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.918 HG21 HG21 ' A' ' 561' ' ' ILE . 19.4 p -69.61 176.52 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.42 146.54 53.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.228 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.665 HG21 ' CG ' ' A' ' 632' ' ' TYR . 4.3 mm -78.35 122.55 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.971 ' O ' HG22 ' A' ' 602' ' ' THR . 3.6 mmpt? -94.97 62.73 2.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.288 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 31.5 mmtm -35.02 146.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.2 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.497 ' HD2' ' HB3' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 35.95 79.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.392 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.971 HG22 ' O ' ' A' ' 599' ' ' LYS . 3.0 t 177.77 144.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.078 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.7 mt -117.7 -12.23 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -133.47 51.73 7.26 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.821 ' HB3' HG21 ' A' ' 602' ' ' THR . 97.0 Cg_endo -78.65 177.16 9.06 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.918 2.412 . . . . 0.0 113.277 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.48 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 29.8 tt0 -125.58 112.56 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.264 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 562' ' ' ILE . 58.3 m-85 -79.91 -58.1 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.354 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 561' ' ' ILE . 26.3 t-20 54.2 47.34 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.096 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.5 mm-40 -106.86 136.34 46.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.295 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.95 108.33 19.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.461 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 558' ' ' ILE . 21.1 m-85 -90.13 172.05 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.985 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.847 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.5 t80 -144.77 122.79 12.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.625 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.639 ' CE1' HG21 ' A' ' 559' ' ' VAL . 8.2 m-85 -104.44 149.74 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 614' ' ' ASP . 3.8 p-10 -104.93 51.16 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.773 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.904 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -115.18 142.59 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.939 0.4 . . . . 0.0 110.741 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -72.66 139.23 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.573 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.59 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 50.9 t-80 -49.13 -47.16 45.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 1.3 m -59.5 -13.44 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.904 ' CB ' HD11 ' A' ' 615' ' ' ILE . 18.4 m-20 -108.53 -30.17 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.59 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.08 -65.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.844 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.17 -55.26 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.648 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.18 52.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.303 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.757 ' HD2' HD13 ' A' ' 615' ' ' ILE . 10.8 mmpt? -69.76 -178.58 1.55 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.148 0.499 . . . . 0.0 111.161 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . 0.452 ' OG ' ' HG3' ' A' ' 585' ' ' LYS . 52.4 p -158.19 103.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.185 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 646' ' ' LEU . 57.1 tp -80.93 123.28 28.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.191 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -109.25 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 646' ' ' LEU . 1.4 mp -91.01 104.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 0.3 OUTLIER -118.27 145.0 45.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.607 ' CG2' HD21 ' A' ' 675' ' ' LEU . 6.1 t -111.58 127.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.743 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.7 m95 -121.77 147.14 46.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.607 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.33 114.66 22.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 109.9 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.665 ' CG ' HG21 ' A' ' 598' ' ' ILE . 40.3 t80 -75.74 162.1 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.444 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.571 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 37.8 m-20 -160.52 125.13 3.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.798 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.664 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -82.72 134.07 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 91.59 -17.93 54.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.797 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.36 -166.42 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -79.8 -167.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.423 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 4.5 m120 -107.19 -168.62 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.5 m-20 -152.58 141.37 21.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -85.59 118.1 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.046 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.607 HD11 ' HB2' ' A' ' 631' ' ' ASP . 61.4 mt -93.89 -39.87 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.719 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 154.23 159.68 9.35 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.145 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.72 -170.57 23.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.894 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.75 173.07 14.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.738 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . 0.483 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 14.1 pt20 -122.95 146.07 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 0.764 HD11 ' NE2' ' A' ' 673' ' ' HIS . 19.3 mt -138.41 93.94 2.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.31 136.31 7.39 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.907 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.2 tt -51.67 -19.3 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 120.798 0.332 . . . . 0.0 111.589 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 46.8 t -73.46 -3.75 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.255 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.174 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.829 0.347 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 648' ' ' ILE . 22.0 tp -82.53 -46.47 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.56 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 5.4 ptpt -54.21 -55.67 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.56 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 19.6 t-160 -60.43 -58.19 9.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.109 0.48 . . . . 0.0 110.611 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.571 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.6 t-105 -59.71 -80.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.907 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -37.45 -65.98 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.32 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -43.4 -31.67 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.204 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 18.7 t -58.97 -41.3 87.23 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.844 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -58.68 -36.23 73.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.928 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 660' ' ' GLU . 11.8 mtmt -79.98 -45.25 18.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.372 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 30.6 m-20 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.311 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.59 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 2.9 mttt -52.5 -88.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.788 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -36.53 -28.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.817 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.3 mmtp -80.99 128.55 33.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.885 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.5 OUTLIER -81.18 125.9 30.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.9 OUTLIER -106.13 152.67 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.79 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.1 OUTLIER -151.88 147.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.142 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.548 ' HD2' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -169.54 156.3 6.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.886 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.961 ' NE1' HD13 ' A' ' 545' ' ' LEU . 86.0 m95 -91.9 131.96 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.32 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 0.764 ' NE2' HD11 ' A' ' 646' ' ' LEU . 86.5 m-70 -113.06 130.01 56.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 5.8 pm0 -77.32 103.25 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.688 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 642' ' ' GLY . 85.8 mt -45.86 129.63 9.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.356 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 63.6 mt-30 -125.87 160.32 30.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.832 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' GLY . . . . . 0.585 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.8 -0.12 . . . . 0.0 112.8 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 564' ' ' CYS . 11.1 mtmt -133.09 142.89 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' ILE . . . . . 0.573 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -117.79 124.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.567 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' LEU . . . . . 0.938 ' HG ' HD13 ' A' ' 562' ' ' ILE . 19.8 tp -79.81 123.54 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.407 HG21 HG21 ' A' ' 627' ' ' ILE . 65.2 t -123.08 138.6 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' SER . . . . . 0.495 ' HB2' ' HG3' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -116.03 126.78 54.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.389 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 658' ' ' TRP . 12.1 mt -105.94 152.25 23.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.973 0.416 . . . . 0.0 111.194 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.528 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 3.0 ttp -173.59 124.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 665' ' ' LYS . 44.5 t80 -103.78 131.63 50.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.64 82.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' THR . . . . . 0.614 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.3 p -47.02 -40.91 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.012 0.434 . . . . 0.0 110.157 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -49.54 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.727 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -17.72 51.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.286 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.54 40.79 53.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.408 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' GLY . . . . . 0.512 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.5 176.89 33.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.59 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' LEU . . . . . 0.522 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.7 tp -100.36 158.68 15.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.808 0.337 . . . . 0.0 110.686 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.849 HD13 ' CD1' ' A' ' 612' ' ' PHE . 1.1 mm -127.68 121.25 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.2 t -108.29 124.89 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.621 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -115.04 119.35 4.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.559 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' ILE . . . . . 1.091 HD11 HD21 ' A' ' 582' ' ' LEU . 38.5 mm -95.8 99.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.9 mp -77.64 -75.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' ARG . . . . . 0.534 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 1.0 OUTLIER -159.73 166.24 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.926 -178.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -122.0 161.31 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.847 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.27 145.14 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 67.74 45.54 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.403 179.409 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 603' ' ' LEU . 33.3 mt -85.38 146.14 27.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' ALA . . . . . 0.558 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -67.99 166.6 15.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' ALA . . . . . 0.508 ' HB1' ' C ' ' A' ' 574' ' ' GLY . . . -110.06 120.32 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.679 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' MET . . . . . 0.546 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -93.15 -18.9 22.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.355 -179.065 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -97.23 161.45 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.223 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -70.62 -8.46 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.01 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -82.33 -9.35 59.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' GLY . . . . . 0.508 ' C ' ' HB1' ' A' ' 569' ' ' ALA . . . 92.98 15.42 52.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.643 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' TYR . . . . . 0.592 ' C ' HD21 ' A' ' 603' ' ' LEU . 3.0 m-85 -126.46 -169.7 2.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.411 . . . . 0.0 111.816 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' SER . . . . . 0.581 ' N ' HD21 ' A' ' 603' ' ' LEU . 22.3 m -151.76 -179.71 7.68 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.911 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' ASP . . . . . 0.532 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 7.1 m-20 -130.79 59.22 44.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.39 0.614 . . . . 0.0 109.451 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' PRO . . . . . 0.788 ' HB3' HD12 ' A' ' 641' ' ' ILE . 38.2 Cg_endo -68.61 150.03 74.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.521 2.814 . . . . 0.0 115.5 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' PHE . . . . . 0.611 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 19.7 p90 -147.09 160.88 41.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.687 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 629' ' ' VAL . 22.7 t -115.31 133.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.759 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.2 OUTLIER -115.6 132.96 56.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.477 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' LEU . . . . . 1.091 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -120.36 139.8 52.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 111.829 -178.651 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.55 119.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.948 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' LEU . . . . . 0.612 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 21.5 tp -92.92 107.16 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' LYS . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 1.7 mtpp . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.948 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.756 0.313 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.532 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 9.2 mttp -75.67 151.7 37.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.823 ' HB2' HD12 ' A' ' 582' ' ' LEU . 18.9 m-70 -145.18 176.95 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.78 119.68 2.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.104 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.2 p -78.48 161.83 26.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.895 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.7 155.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.791 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' ILE . . . . . 0.655 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.0 OUTLIER -87.0 126.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.631 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' LYS . . . . . 0.922 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -96.82 36.68 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.542 . . . . 0.0 110.289 179.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.571 ' HD3' ' CD1' ' A' ' 632' ' ' TYR . 3.8 mttp -28.7 140.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.156 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' LYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 68.34 58.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.091 179.092 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' THR . . . . . 0.922 HG22 ' O ' ' A' ' 599' ' ' LYS . 6.3 t 178.88 148.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.017 0.437 . . . . 0.0 111.624 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.2 mt -116.18 -12.79 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.754 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.443 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -134.35 52.94 8.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.89 ' HB3' HG21 ' A' ' 602' ' ' THR . 83.0 Cg_endo -79.25 176.84 9.28 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.031 2.487 . . . . 0.0 113.322 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' GLU . . . . . 0.534 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -128.58 115.36 17.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.12 179.235 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' PHE . . . . . 0.682 ' HB2' HG22 ' A' ' 561' ' ' ILE . 73.3 m-85 -79.72 -49.32 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.452 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 49.42 50.17 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 110.02 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' GLU . . . . . 0.451 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 5.2 mt-10 -109.24 136.22 49.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.192 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.1 111.45 22.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 558' ' ' ILE . 45.3 m-85 -95.51 174.1 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.628 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' PHE . . . . . 0.849 ' CD1' HD13 ' A' ' 558' ' ' ILE . 5.5 t80 -145.08 117.0 8.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' TYR . . . . . 0.612 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 4.6 m-85 -99.22 149.07 23.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.4 69.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' ILE . . . . . 0.891 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -128.62 145.4 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' LYS . . . . . 0.413 ' N ' HG13 ' A' ' 615' ' ' ILE . 1.2 mtpt -75.03 131.95 40.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . 0.581 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 46.9 t-80 -43.49 -49.52 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -15.02 8.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.306 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' ASP . . . . . 0.891 ' CB ' HD11 ' A' ' 615' ' ' ILE . 0.9 OUTLIER -105.54 -28.25 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.623 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . 0.599 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.76 -68.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.698 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' ALA . . . . . 0.835 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.26 -49.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.002 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -18.35 65.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.598 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' LYS . . . . . 0.755 ' HE3' HD13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -69.92 -174.89 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 0.0 111.403 -179.564 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' SER . . . . . 0.433 ' C ' HD12 ' A' ' 584' ' ' LEU . 25.9 p -160.05 104.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.614 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.488 HD21 ' CG1' ' A' ' 559' ' ' VAL . 54.6 tp -79.97 118.85 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.884 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -104.66 96.99 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 627' ' ' ILE . 3.4 mp -91.87 104.11 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' SER . . . . . 0.519 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 51.6 p -115.73 135.79 53.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.151 0.5 . . . . 0.0 111.815 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 580' ' ' VAL . 20.2 t -107.88 121.78 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' TRP . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 34.4 m95 -121.23 152.32 38.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.362 . . . . 0.0 111.37 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' ASP . . . . . 0.584 ' HB2' HD11 ' A' ' 641' ' ' ILE . 1.0 OUTLIER -86.58 135.77 33.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.027 179.04 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' TYR . . . . . 0.655 ' CD2' HD12 ' A' ' 598' ' ' ILE . 32.0 t80 -98.09 158.03 15.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.987 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 632' ' ' TYR . 74.1 m-20 -155.61 125.4 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' ILE . . . . . 0.596 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -77.91 139.46 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.72 -7.49 49.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.608 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.41 -174.53 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 7.8 m -80.45 -178.35 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -93.67 -173.52 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.6 m-20 -147.26 149.32 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' TYR . . . . . 0.584 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -87.05 117.46 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 578' ' ' PRO . 9.2 mt -95.4 -42.64 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.679 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 150.76 158.05 8.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.02 -160.79 10.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.778 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.9 154.76 18.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.756 0.312 . . . . 0.0 110.818 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.53 136.49 40.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' LEU . . . . . 1.062 HD11 ' NE2' ' A' ' 673' ' ' HIS . 10.5 mt -126.61 93.91 3.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.082 0.468 . . . . 0.0 111.475 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -142.67 142.2 11.35 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' ILE . . . . . 0.959 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.4 tt -55.35 -16.97 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 120.91 0.386 . . . . 0.0 111.49 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -80.14 4.02 18.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 109.957 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.212 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.325 -179.839 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' ARG . . . . . 0.522 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.2 mtm-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.785 0.326 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.3 tp -57.83 -40.94 81.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 25.2 mttm -59.25 -43.67 92.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.979 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' HIS . . . . . 0.511 ' NE2' ' O ' ' A' ' 669' ' ' ILE . 10.4 t-160 -73.86 -67.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.69 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' TRP . . . . . 0.662 ' HA ' HD12 ' A' ' 548' ' ' LEU . 52.8 t-105 -43.92 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.54 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' TYR . . . . . 0.959 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.4 OUTLIER -36.12 -54.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.398 179.545 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' GLU . . . . . 0.873 ' HB3' HD12 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -38.47 -44.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 -179.369 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 557' ' ' LEU . 45.6 t -49.36 -37.17 23.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.472 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' LEU . . . . . 0.835 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.8 mp -68.11 -40.5 82.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . 0.455 ' HD3' ' OE1' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -79.49 -33.89 41.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.353 0.597 . . . . 0.0 109.662 179.614 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.614 ' HB2' HD11 ' A' ' 669' ' ' ILE . 9.8 m-80 -109.5 45.21 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.676 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' LYS . . . . . 0.614 ' HD2' HG22 ' A' ' 552' ' ' THR . 3.9 mtmt -35.61 -92.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 0.5 OUTLIER -42.7 -27.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.086 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' LYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 0.9 OUTLIER -79.9 150.04 30.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 2.4 mtpt -90.17 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.693 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' ILE . . . . . 0.873 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.1 mm -139.09 98.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' GLU . . . . . 0.495 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 0.8 OUTLIER -102.85 133.27 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.424 -179.249 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' ARG . . . . . 0.498 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 1.5 mmm180 -153.56 162.08 41.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' TRP . . . . . 0.803 ' NE1' HD13 ' A' ' 545' ' ' LEU . 90.2 m95 -101.89 130.49 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' HIS . . . . . 1.062 ' NE2' HD11 ' A' ' 646' ' ' LEU . 33.1 m-70 -113.71 129.47 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.068 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.54 117.52 15.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.076 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' ' 642' ' ' GLY . 83.7 mt -63.87 128.9 37.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.208 0.527 . . . . 0.0 111.595 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -125.22 160.94 28.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.509 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.125 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 2.5 ptp180 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.726 0.298 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.579 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 112.27 177.6 19.93 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.616 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -131.3 147.63 52.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.628 0.251 . . . . 0.0 110.537 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.61 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.98 128.58 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.585 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.891 HD13 ' CE2' ' A' ' 672' ' ' TRP . 16.2 tp -79.84 116.1 19.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.729 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 670' ' ' GLU . 53.9 t -113.38 128.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.114 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.776 ' HB3' HD11 ' A' ' 562' ' ' ILE . 26.5 p -110.36 111.52 22.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.487 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 17.2 mt -92.52 166.65 12.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.085 0.469 . . . . 0.0 111.59 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.524 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.4 tmm? 171.74 127.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.191 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.542 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 50.2 t80 -107.83 136.32 47.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.951 0.405 . . . . 0.0 111.449 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . 0.404 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.1 OUTLIER -107.9 84.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.869 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.665 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.1 p -51.22 -39.66 57.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.485 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -46.56 58.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.301 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 554' ' ' GLN . 7.4 mm-40 -85.45 -18.75 32.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.641 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.05 39.36 32.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.382 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.542 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -151.67 173.6 30.94 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.506 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.604 HD12 ' H ' ' A' ' 558' ' ' ILE . 6.6 tp -99.95 161.42 13.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.746 0.308 . . . . 0.0 110.633 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.845 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -130.16 120.85 50.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.995 0.426 . . . . 0.0 110.938 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 582' ' ' LEU . 3.1 t -108.43 125.35 65.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.412 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -116.84 109.38 1.91 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.076 -1.059 . . . . 0.0 113.649 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.011 HD11 ' CD2' ' A' ' 582' ' ' LEU . 42.1 mm -87.39 93.95 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.844 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -70.87 -75.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.551 ' HG3' ' CH2' ' A' ' 672' ' ' TRP . 2.2 ptm180 -157.07 174.91 14.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.004 0.43 . . . . 0.0 111.876 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.6 p -131.56 161.12 33.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.01 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.41 HG13 ' CH2' ' A' ' 672' ' ' TRP . 18.7 m -147.9 152.91 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.279 0.561 . . . . 0.0 112.34 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.23 46.78 18.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.319 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.753 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.5 mt -84.14 154.68 22.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.564 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -73.29 164.35 26.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.495 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.492 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.78 120.75 43.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.661 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.54 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -93.33 -19.07 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.151 -179.066 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -98.68 160.16 14.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.88 -5.62 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.248 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.79 -11.54 58.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.642 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.97 14.44 52.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.565 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.628 ' HA ' HD21 ' A' ' 603' ' ' LEU . 3.0 m-85 -125.95 -169.93 2.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.881 0.372 . . . . 0.0 111.844 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.547 ' N ' HD21 ' A' ' 603' ' ' LEU . 13.7 m -155.01 177.68 11.05 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.172 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.503 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 4.5 m-20 -127.7 56.84 21.76 Favored Pre-proline 0 C--N 1.331 -0.234 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.747 ' HB3' HD12 ' A' ' 641' ' ' ILE . 39.1 Cg_endo -68.85 141.4 48.96 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 123.502 2.802 . . . . 0.0 115.299 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 15.6 p90 -136.79 162.13 34.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.227 -1.351 . . . . 0.0 107.625 177.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 629' ' ' VAL . 40.9 t -114.98 132.25 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 119.964 -0.694 . . . . 0.0 112.632 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 3.0 mtpm? -114.37 136.77 52.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.527 178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.011 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.85 139.01 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.972 0.415 . . . . 0.0 111.785 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.576 ' CE2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.84 117.34 6.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.032 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.776 HD11 ' HB3' ' A' ' 623' ' ' LYS . 9.2 tp -97.9 126.77 43.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.783 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.614 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -115.72 174.78 2.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.842 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 53.1 Cg_exo -55.14 -21.33 1.03 Allowed 'Cis proline' 0 C--N 1.351 0.662 0 C-N-CA 123.592 -1.42 . . . . 0.0 112.076 -0.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.614 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 0.0 OUTLIER 88.13 167.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.644 178.612 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . 0.418 ' N ' ' OD1' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -115.54 -18.2 10.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.519 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.49 ' N ' ' OD1' ' A' ' 587' ' ' ASP . . . -154.07 179.73 30.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.366 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -88.99 18.34 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 24.6 mttp -118.14 12.37 13.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -69.73 -12.92 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.272 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.53 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 10.0 mttt -84.28 153.02 23.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.84 ' HB2' HD12 ' A' ' 582' ' ' LEU . 17.7 m-70 -144.69 179.11 7.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.26 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.75 119.44 2.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.327 179.395 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.673 HG21 HG21 ' A' ' 561' ' ' ILE . 2.7 p -76.99 165.45 24.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.927 0.394 . . . . 0.0 111.124 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -43.62 148.25 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.782 HD12 ' CD2' ' A' ' 632' ' ' TYR . 2.1 mm -80.19 122.73 35.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.493 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.598 ' O ' HG22 ' A' ' 602' ' ' THR . 2.7 mmpt? -93.25 71.23 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 4.8 mmtm -62.0 150.41 38.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.921 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.8 mmtt 41.59 66.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.855 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.6 t -179.44 143.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.204 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.753 HD13 ' O ' ' A' ' 567' ' ' LEU . 13.0 mt -113.51 -12.38 12.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.83 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.429 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 1.1 m-80 -134.48 53.71 10.17 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.847 ' HB3' HG21 ' A' ' 602' ' ' THR . 83.9 Cg_endo -81.22 -173.13 1.7 Allowed 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.828 2.352 . . . . 0.0 113.021 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.535 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -135.31 115.98 13.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.365 179.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.58 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 80.4 m-85 -79.93 -60.07 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.158 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 562' ' ' ILE . 0.8 OUTLIER 59.9 45.48 12.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 -179.608 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -107.1 131.05 54.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.016 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -105.71 114.73 29.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.768 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 582' ' ' LEU . 55.8 m-85 -97.41 173.93 6.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.978 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.845 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.8 t80 -143.65 118.71 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.619 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.61 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.56 150.7 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.656 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.75 70.49 0.75 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.125 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.873 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.7 OUTLIER -131.48 143.21 41.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.653 179.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 615' ' ' ILE . 24.1 mmtp -72.2 131.39 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.584 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 30.4 t-80 -44.34 -42.79 7.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.95 -23.34 63.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.99 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.873 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.6 m-20 -100.29 -29.08 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.501 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.67 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.82 -67.58 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.743 179.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.905 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -35.8 -59.22 0.59 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.933 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 619' ' ' ASP . 0.1 OUTLIER -61.29 -16.04 41.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.643 -179.055 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.776 ' HB3' HD11 ' A' ' 584' ' ' LEU . 8.7 mmpt? -64.88 172.97 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.073 0.463 . . . . 0.0 111.217 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.8 p -150.54 100.78 2.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.244 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.556 HD23 HD11 ' A' ' 627' ' ' ILE . 39.7 tp -79.76 121.71 25.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.984 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -104.2 95.27 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.556 HD11 HD23 ' A' ' 625' ' ' LEU . 4.2 mp -90.72 106.84 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.495 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.519 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 5.0 m -118.59 139.74 51.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.118 0.485 . . . . 0.0 111.73 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.845 HG22 HG22 ' A' ' 580' ' ' VAL . 26.0 t -109.48 122.01 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.453 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.609 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 37.9 m95 -120.48 151.68 39.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.133 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.627 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.6 OUTLIER -86.06 137.01 33.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.291 179.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.782 ' CD2' HD12 ' A' ' 598' ' ' ILE . 22.3 t80 -99.29 160.36 14.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.969 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 38.8 m-20 -155.32 127.78 7.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.5 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -77.55 134.58 28.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.987 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 71.48 2.76 51.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.51 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.46 -163.96 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.26 167.73 10.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -80.17 -172.83 3.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 631' ' ' ASP . 37.5 m-20 -153.48 152.36 30.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.793 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.74 119.72 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.02 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.747 HD12 ' HB3' ' A' ' 578' ' ' PRO . 34.4 mt -100.71 -44.51 11.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 159.15 160.28 10.28 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.65 -162.52 13.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.587 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.59 165.04 26.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -112.29 137.09 50.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.629 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.878 HD11 ' NE2' ' A' ' 673' ' ' HIS . 10.2 mt -128.04 96.95 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.061 0.458 . . . . 0.0 111.81 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -144.81 138.81 8.03 Favored Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 1.004 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.3 tt -53.04 -18.45 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 117.036 0.418 . . . . 0.0 111.366 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 18.8 t -71.68 -6.69 42.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -81.27 167.14 19.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.261 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.72 133.83 17.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.681 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . 0.439 ' C ' ' HG3' ' A' ' 653' ' ' GLU . . . 126.86 -59.51 0.67 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.927 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.439 ' HG3' ' C ' ' A' ' 652' ' ' GLY . 28.0 mt-10 -150.38 -52.62 0.14 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.557 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.8 mtm180 -50.49 -33.6 21.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.632 0.253 . . . . 0.0 111.4 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.816 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.9 tp -65.38 -36.01 82.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.398 . . . . 0.0 110.51 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 1.3 pttp -63.69 -50.66 68.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.914 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.623 ' CD2' HG22 ' A' ' 669' ' ' ILE . 13.1 t-80 -69.71 -52.37 26.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.476 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.597 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.3 t-105 -60.05 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.113 0.482 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 1.004 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.6 OUTLIER -31.82 -59.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.923 179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.691 ' CG ' HD12 ' A' ' 669' ' ' ILE . 5.7 pt-20 -43.67 -38.28 3.02 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.181 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 23.2 t -51.59 -39.79 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 109.767 178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.905 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.7 OUTLIER -62.33 -33.95 75.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.362 179.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.9 -41.43 23.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.839 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.736 ' HB2' HD11 ' A' ' 669' ' ' ILE . 5.3 m120 -100.17 60.52 1.05 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.581 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.665 ' HD3' HG22 ' A' ' 552' ' ' THR . 1.9 mttt -53.4 -81.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.331 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -18.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.394 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.1 OUTLIER -89.06 137.04 32.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.729 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.46 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 2.4 mtpt -79.65 123.15 27.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 664' ' ' ASN . 1.1 mm -112.08 97.8 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.651 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 6.0 pm0 -112.98 154.57 26.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.08 0.467 . . . . 0.0 111.636 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.602 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -174.03 161.31 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.891 ' CE2' HD13 ' A' ' 545' ' ' LEU . 91.9 m95 -89.32 129.23 35.9 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.254 0.549 . . . . 0.0 112.227 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.878 ' NE2' HD11 ' A' ' 646' ' ' LEU . 26.8 m-70 -108.75 138.4 45.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.198 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -83.32 122.33 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.376 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.467 ' O ' ' HD3' ' A' ' 541' ' ' ARG . 84.0 mt -67.39 137.16 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.083 0.468 . . . . 0.0 111.562 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -128.07 160.91 30.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.653 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -102.22 118.09 36.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -100.37 -74.72 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.21 92.8 3.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.916 -179.95 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 2.0 mtt180 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.803 0.335 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.59 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 109.13 -178.16 20.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.538 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.579 ' HD2' HG23 ' A' ' 565' ' ' VAL . 0.0 OUTLIER -138.51 145.33 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.583 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -120.2 128.96 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 111.625 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.918 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.3 tp -79.61 121.68 25.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.46 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 88.5 t -115.04 132.23 64.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.746 ' HB3' HD11 ' A' ' 562' ' ' ILE . 44.7 p -113.81 103.79 11.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.023 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 669' ' ' ILE . 13.9 mt -91.09 164.11 14.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 0.0 111.808 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.535 ' CG ' ' HA ' ' A' ' 668' ' ' LYS . 0.9 OUTLIER 174.36 128.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.276 179.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.566 ' HD1' HD11 ' A' ' 620' ' ' LEU . 59.2 t80 -103.71 134.18 47.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.903 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . 0.668 ' OG ' HD11 ' A' ' 558' ' ' ILE . 4.4 p -100.23 92.93 5.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.034 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.422 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.2 p -65.03 -37.95 89.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 109.787 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.81 -43.18 69.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.945 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.482 ' HG3' ' HB2' ' A' ' 551' ' ' SER . 0.1 OUTLIER -90.83 -19.55 23.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.226 179.351 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 551' ' ' SER . . . 78.02 38.78 25.65 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.442 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -150.5 168.92 30.41 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.906 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 5.8 tp -94.51 154.91 17.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.713 0.292 . . . . 0.0 110.498 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.804 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.6 mm -127.89 123.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.98 0.419 . . . . 0.0 110.901 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.544 HG11 HD22 ' A' ' 582' ' ' LEU . 3.0 t -113.43 120.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.646 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.455 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -112.06 119.9 5.18 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 113.539 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.032 HD11 HD21 ' A' ' 582' ' ' LEU . 38.8 mm -95.53 97.74 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.894 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.4 mp -73.28 -73.28 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -160.98 178.84 8.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.184 0.516 . . . . 0.0 111.921 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.578 ' SG ' HD11 ' A' ' 567' ' ' LEU . 7.0 p -135.0 159.5 41.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.829 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.579 HG23 ' HD2' ' A' ' 543' ' ' LYS . 28.2 m -142.09 147.83 21.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 53.05 54.71 9.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.399 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.789 ' O ' HD13 ' A' ' 603' ' ' LEU . 11.1 mt -83.5 161.9 21.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.856 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.2 150.29 28.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.58 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -118.5 109.45 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.577 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.8 mtm -90.7 -20.08 22.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.41 158.31 36.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.651 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.96 0.78 14.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.407 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.56 -4.89 47.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 88.06 6.56 75.14 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.169 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.58 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.64 -169.15 1.93 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.003 0.43 . . . . 0.0 111.815 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.497 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.7 OUTLIER -155.95 171.45 20.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 599' ' ' LYS . 2.1 m-20 -117.52 58.32 2.48 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 109.381 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.712 ' HB3' HD12 ' A' ' 641' ' ' ILE . 33.4 Cg_endo -65.58 139.59 59.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 123.4 2.733 . . . . 0.0 114.964 -177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.606 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.9 p90 -139.33 161.37 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.315 -1.311 . . . . 0.0 107.701 177.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.663 ' O ' HG23 ' A' ' 596' ' ' THR . 22.0 t -114.41 130.31 68.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 119.837 -0.745 . . . . 0.0 112.737 -178.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.95 133.94 55.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.303 178.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.032 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -121.79 139.79 53.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.005 0.431 . . . . 0.0 111.826 -178.546 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.565 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.6 t90 -148.91 117.51 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.137 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.626 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.1 tp -94.01 115.12 27.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.478 ' CB ' ' HA ' ' A' ' 586' ' ' PRO . 3.0 pttt -94.57 164.71 19.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.12 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.559 ' HD2' ' NZ ' ' A' ' 623' ' ' LYS . 1.0 OUTLIER -84.24 107.99 1.12 Allowed 'Cis proline' 0 N--CA 1.457 -0.628 0 C-N-CA 123.659 -1.392 . . . . 0.0 111.941 -0.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.526 ' C ' ' O ' ' A' ' 586' ' ' PRO . 1.0 OUTLIER -5.02 105.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 O-C-N 124.354 1.034 . . . . 0.0 112.58 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.8 -35.31 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.569 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -125.34 -6.5 6.2 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.257 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.3 OUTLIER 87.2 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 593' ' ' LYS . 5.6 pttp -75.04 -5.56 44.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.088 0.471 . . . . 0.0 110.772 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -41.04 -26.51 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.565 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.2 OUTLIER -64.4 160.37 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.067 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.575 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.1 m-70 -160.32 170.64 20.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.232 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.56 119.01 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.212 179.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.663 HG23 ' O ' ' A' ' 580' ' ' VAL . 3.4 p -79.28 161.07 26.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.961 0.41 . . . . 0.0 111.195 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -40.82 144.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.691 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.674 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.6 mm -77.9 126.8 38.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.363 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 602' ' ' THR . 11.6 mmpt? -92.49 72.6 5.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.26 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.55 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 35.2 mmtm -51.28 143.72 10.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.028 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.437 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 31.66 76.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.028 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.805 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.8 t -179.0 144.56 0.24 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.769 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.5 mt -119.22 -12.29 9.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.557 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.2 OUTLIER -129.3 45.79 1.92 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.561 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.805 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.5 Cg_endo -74.64 -174.51 1.89 Allowed 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.966 2.444 . . . . 0.0 112.957 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.4 OUTLIER -132.81 115.84 15.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.28 179.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.674 ' CB ' HG22 ' A' ' 561' ' ' ILE . 71.9 m-85 -80.93 -56.01 4.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.32 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 561' ' ' ILE . 5.2 t-20 49.63 46.74 23.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.256 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.454 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 9.5 mm-40 -107.74 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.041 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -109.78 114.28 27.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.784 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 42.4 m-85 -96.7 175.55 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.136 0.493 . . . . 0.0 111.721 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.804 ' HD1' HD13 ' A' ' 558' ' ' ILE . 3.9 t80 -147.27 118.25 7.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.721 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.626 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 5.6 m-85 -100.16 148.24 24.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.691 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -104.75 69.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.989 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.904 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -134.28 145.1 33.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.903 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -74.48 144.68 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.433 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.534 ' NE2' ' HD3' ' A' ' 665' ' ' LYS . 57.6 t-80 -53.71 -44.67 70.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.042 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -18.71 59.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.207 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.904 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.4 m-20 -101.48 -31.22 11.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.742 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.689 HD21 HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -33.29 -68.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.889 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.762 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.55 -54.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.025 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -16.9 55.69 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.082 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.848 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -72.86 164.12 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.292 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.442 ' HB2' ' HE3' ' A' ' 585' ' ' LYS . 0.0 OUTLIER -145.21 103.39 3.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.911 179.327 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 584' ' ' LEU . 28.5 tp -79.07 154.68 29.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.801 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 4.2 t0 -132.19 96.29 3.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.962 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.474 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -92.34 92.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.224 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.509 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.2 m -109.16 136.71 48.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.54 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.631 HG22 HG22 ' A' ' 580' ' ' VAL . 15.3 t -103.75 124.86 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.32 179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.606 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 67.8 m95 -121.07 146.57 46.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.232 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 639' ' ' ASP . 0.0 OUTLIER -86.27 118.43 25.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.045 0.45 . . . . 0.0 110.452 179.565 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.674 ' CG ' HG21 ' A' ' 598' ' ' ILE . 52.6 t80 -79.97 161.51 25.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.471 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.6 OUTLIER -160.11 119.02 2.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.052 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.517 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -70.41 133.6 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 80.57 -11.48 39.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.801 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -130.67 -176.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.997 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.1 m -80.0 -176.18 5.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.805 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.61 178.73 5.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 631' ' ' ASP . 37.9 m-20 -139.96 149.51 43.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.566 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -93.12 115.92 28.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.906 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.712 HD12 ' HB3' ' A' ' 578' ' ' PRO . 40.0 mt -96.24 -39.42 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.551 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 149.51 164.0 11.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.307 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -167.94 -163.04 21.18 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.739 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 674' ' ' GLN . 5.5 m -165.69 142.71 5.5 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -89.43 137.43 32.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.806 HD11 ' NE2' ' A' ' 673' ' ' HIS . 8.2 mt -120.24 96.74 5.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 111.362 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -145.99 146.11 15.87 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.57 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.898 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -59.19 -13.3 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-O 120.815 0.341 . . . . 0.0 111.667 -179.169 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -87.09 13.49 9.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.069 0.462 . . . . 0.0 109.949 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -94.42 171.84 8.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.476 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -149.05 135.2 19.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.615 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 126.98 -58.07 0.7 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.789 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.483 ' HG2' ' N ' ' A' ' 654' ' ' ARG . 0.5 OUTLIER -163.65 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.635 0.218 . . . . 0.0 111.581 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.526 ' HB3' HD23 ' A' ' 646' ' ' LEU . 4.0 mtm180 -51.21 -38.6 53.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 111.175 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.2 tp -57.55 -37.01 72.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.736 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.557 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 9.1 pttt -62.85 -55.52 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.902 ' CD2' HG22 ' A' ' 669' ' ' ILE . 4.7 t-160 -59.57 -56.7 18.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.035 0.445 . . . . 0.0 110.736 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -59.63 -80.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.083 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.898 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -38.65 -64.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.286 -179.579 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.9 pt-20 -45.14 -30.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.256 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 11.5 t -61.84 -39.36 91.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.762 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -59.49 -31.69 69.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.132 178.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.474 ' CG ' ' OD1' ' A' ' 664' ' ' ASN . 0.7 OUTLIER -78.01 -41.63 35.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.779 179.376 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.558 ' HB3' ' CG ' ' A' ' 667' ' ' LYS . 33.5 m-20 -107.78 66.22 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.702 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.534 ' HD3' ' NE2' ' A' ' 617' ' ' HIS . 0.4 OUTLIER -67.69 -73.23 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -33.32 -31.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.67 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.558 ' CG ' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -108.27 149.7 28.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.704 0.287 . . . . 0.0 110.428 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.81 175.75 10.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.456 0.646 . . . . 0.0 112.148 -178.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.902 HG22 ' CD2' ' A' ' 657' ' ' HIS . 0.9 OUTLIER -145.29 118.28 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.784 179.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.517 ' CG ' ' HB3' ' A' ' 547' ' ' SER . 5.2 mt-10 -114.4 130.95 56.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.148 0.499 . . . . 0.0 112.184 -178.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.647 ' CG ' ' CD2' ' A' ' 657' ' ' HIS . 4.1 mmt180 -153.99 163.99 39.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.972 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.918 ' NE1' HD13 ' A' ' 545' ' ' LEU . 80.5 m95 -103.11 132.33 49.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.806 ' NE2' HD11 ' A' ' 646' ' ' LEU . 32.0 m-70 -115.47 129.32 56.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.823 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.515 ' OE1' ' CG ' ' A' ' 676' ' ' GLN . 0.0 OUTLIER -76.83 122.04 24.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.964 0.411 . . . . 0.0 110.342 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 642' ' ' GLY . 90.8 mt -64.77 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.212 0.529 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.515 ' CG ' ' OE1' ' A' ' 674' ' ' GLN . 67.7 mt-30 -125.1 162.6 24.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -105.82 105.24 15.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.817 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -118.17 -62.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . 0.439 ' O ' ' CE2' ' A' ' 640' ' ' TYR . 9.5 t-20 -79.98 81.57 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.015 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 5.0 t60 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.902 179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.793 0.33 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.916 ' H ' HD12 ' A' ' 675' ' ' LEU . . . -118.54 -145.58 7.81 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.674 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.528 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 1.6 mtmm -132.49 158.19 42.73 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.693 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -134.98 124.3 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.019 0.438 . . . . 0.0 111.653 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.967 HD13 ' NE1' ' A' ' 672' ' ' TRP . 16.2 tp -79.7 120.58 24.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.449 179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 74.6 t -118.31 137.22 52.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.598 ' HB3' HD11 ' A' ' 562' ' ' ILE . 2.1 p -112.89 120.01 39.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.428 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.522 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 14.8 mt -100.64 158.04 16.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.027 0.442 . . . . 0.0 111.448 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.517 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.2 OUTLIER 175.67 125.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.373 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.455 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 41.2 t80 -104.34 131.06 52.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.968 0.413 . . . . 0.0 111.366 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . 0.435 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -104.09 77.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.891 179.753 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 552' ' ' THR . 1.1 p -44.04 -35.41 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.01 0.434 . . . . 0.0 110.263 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.495 ' HG3' ' HG2' ' A' ' 554' ' ' GLN . 1.2 tp60 -54.31 -56.61 16.82 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.495 ' HG2' ' HG3' ' A' ' 553' ' ' GLN . 1.8 mm-40 -73.71 -15.34 61.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.367 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.78 58.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.35 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -160.09 165.15 34.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.729 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.542 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 14.3 tp -89.06 158.91 17.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.664 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.846 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -126.45 124.51 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.922 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 582' ' ' LEU . 2.2 t -114.19 123.16 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.7 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.97 115.45 3.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.323 -0.942 . . . . 0.0 113.407 -179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 0.968 HD11 ' CD2' ' A' ' 582' ' ' LEU . 43.4 mm -92.09 94.03 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.86 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.9 mp -72.84 -75.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.508 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -156.19 177.77 11.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.229 0.537 . . . . 0.0 112.073 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 567' ' ' LEU . 6.8 p -135.79 159.29 42.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.726 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 543' ' ' LYS . 32.8 m -147.68 145.49 18.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 112.42 -179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.9 t60 67.56 38.88 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.298 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.74 ' O ' HD13 ' A' ' 603' ' ' LEU . 9.6 mt -76.51 156.05 33.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.331 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.457 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -77.17 166.49 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.949 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -120.84 119.58 33.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.397 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.496 ' HG3' ' HB2' ' A' ' 639' ' ' ASP . 9.3 mmt -90.97 -23.68 20.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.619 179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -79.59 168.29 19.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.048 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -81.52 -10.58 59.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.066 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -81.25 -9.42 59.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.82 8.97 58.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.535 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -119.95 -168.7 1.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 0.0 111.726 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.646 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.9 OUTLIER -158.54 176.52 12.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.372 -179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.526 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.8 m-20 -122.2 57.31 8.48 Favored Pre-proline 0 C--N 1.33 -0.271 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.606 ' CG ' HD12 ' A' ' 567' ' ' LEU . 37.3 Cg_endo -67.38 141.56 56.7 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 123.392 2.728 . . . . 0.0 115.327 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 11.4 p90 -139.89 162.57 34.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.119 -1.4 . . . . 0.0 107.545 177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 629' ' ' VAL . 21.6 t -114.47 137.38 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.661 -178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.592 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.5 mttp -116.99 132.39 56.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.772 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.968 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.81 134.99 55.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.084 0.469 . . . . 0.0 111.431 -179.282 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.532 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.3 t90 -145.75 118.46 8.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.762 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.623 HD11 ' CB ' ' A' ' 623' ' ' LYS . 21.8 tp -91.18 108.11 19.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.464 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 0.1 OUTLIER -81.72 156.87 70.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.925 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 587' ' ' ASP . 86.8 Cg_endo -94.07 105.64 0.4 Allowed 'Cis proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.481 -1.466 . . . . 0.0 112.547 0.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.519 ' C ' ' O ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER 5.94 111.28 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.417 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . 0.51 ' HG2' ' N ' ' A' ' 589' ' ' GLY . 0.2 OUTLIER -91.7 -35.78 13.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -135.31 1.96 3.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.591 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER 87.67 -25.11 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.659 0.266 . . . . 0.0 110.933 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -84.12 2.52 39.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.068 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -52.88 -25.17 10.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.163 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.49 ' HD3' ' HB2' ' A' ' 583' ' ' TRP . 13.2 mmtp -66.38 153.27 43.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.541 ' HB3' HD12 ' A' ' 582' ' ' LEU . 3.7 m-70 -153.66 169.96 22.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.036 0.446 . . . . 0.0 111.469 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.34 127.14 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.254 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.733 HG21 HG21 ' A' ' 561' ' ' ILE . 1.4 p -86.8 164.76 16.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.387 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.529 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 2.7 pt20 -44.65 147.19 0.64 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.097 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.644 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.9 mm -80.26 132.36 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.935 0.398 . . . . 0.0 111.561 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.613 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.97 75.59 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.997 179.395 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.488 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 20.3 mmtp -55.22 145.64 20.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.745 -0.661 . . . . 0.0 112.085 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.478 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.9 OUTLIER 34.73 75.72 0.05 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.956 179.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.804 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.3 t 179.01 143.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.74 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.4 mt -117.79 -11.76 10.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 13.8 m-80 -131.36 47.76 3.13 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.479 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.804 ' HB3' HG21 ' A' ' 602' ' ' THR . 72.0 Cg_endo -75.96 -170.66 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.082 2.521 . . . . 0.0 113.424 -179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.508 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -137.0 113.75 10.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.177 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.575 ' HB2' HG22 ' A' ' 561' ' ' ILE . 68.4 m-85 -79.9 -58.26 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.195 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 1.5 t-20 55.53 46.4 23.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.342 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.437 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 13.3 mm-40 -106.61 136.57 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.186 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -107.8 115.26 29.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 28.7 m-85 -98.44 176.72 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.229 0.537 . . . . 0.0 112.071 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.846 ' HD1' HD13 ' A' ' 558' ' ' ILE . 8.3 t80 -150.86 121.94 7.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.331 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.612 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.67 151.91 21.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 65.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.896 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -128.64 143.41 41.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -73.26 132.18 42.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.439 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.537 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 52.3 t-80 -45.13 -47.23 12.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.025 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 37.7 t -57.58 -15.71 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.032 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.896 ' CB ' HD11 ' A' ' 615' ' ' ILE . 5.7 m-20 -105.93 -28.85 10.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.727 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.611 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.35 -67.76 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.763 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -35.84 -49.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.869 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.622 ' HE2' ' HB3' ' A' ' 621' ' ' ALA . 0.0 OUTLIER -66.85 -22.61 65.98 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.875 0.369 . . . . 0.0 111.579 -179.055 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.771 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.8 mmpt? -69.77 173.88 5.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.143 0.497 . . . . 0.0 111.364 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 91.0 p -146.73 105.12 3.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 646' ' ' LEU . 40.6 tp -79.51 114.18 18.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.058 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -104.49 100.65 10.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 646' ' ' LEU . 2.3 mp -92.04 109.56 21.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.681 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.501 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 85.1 p -115.04 153.43 30.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.769 HG22 HG22 ' A' ' 580' ' ' VAL . 25.3 t -127.02 125.41 66.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.76 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.592 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 35.3 m95 -120.47 143.06 48.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.091 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.82 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.39 106.88 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 0.0 110.352 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.644 ' CD2' HD12 ' A' ' 598' ' ' ILE . 39.7 t80 -59.52 165.6 2.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.105 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 36.9 m-20 -158.77 119.03 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.551 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -78.46 137.8 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 61.78 15.43 48.16 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.564 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 634' ' ' ILE . 0.0 OUTLIER -155.5 -179.01 7.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.4 OUTLIER -80.95 155.73 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 1.1 m-80 -77.87 -162.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.496 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 28.2 m-20 -159.39 141.15 13.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.8 OUTLIER -82.99 115.7 21.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.82 HD11 ' HB2' ' A' ' 631' ' ' ASP . 60.6 mt -91.09 -40.5 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.511 ' HA2' ' O ' ' A' ' 676' ' ' GLN . . . 154.33 169.23 18.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.696 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.15 -179.81 39.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.596 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.26 158.88 43.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.901 0.381 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 7.6 pt20 -109.29 146.72 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.72 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.883 HD11 ' NE2' ' A' ' 673' ' ' HIS . 25.4 mt -137.47 91.63 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.983 0.42 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.9 145.17 17.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.871 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.946 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.5 tt -59.53 -13.04 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 120.818 0.342 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.7 t -86.07 12.38 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.222 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -95.71 -165.63 1.32 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 5.9 mmtt -150.47 132.01 14.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 100.98 -115.89 5.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.641 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.12 -48.45 9.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 0.0 110.999 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 646' ' ' LEU . 0.0 OUTLIER -43.57 -31.62 0.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.946 HD12 ' HA ' ' A' ' 648' ' ' ILE . 14.9 tp -90.17 -47.56 7.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 4.8 mttt -47.41 -66.25 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.321 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.64 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 14.2 t-160 -55.84 -52.98 62.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.009 0.433 . . . . 0.0 111.067 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -61.15 -77.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.352 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.573 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -46.04 -64.18 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.271 -179.273 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.578 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.7 pt-20 -43.62 -31.95 0.86 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 12.7 t -63.18 -42.06 99.31 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.763 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -54.0 -30.6 47.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.796 178.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 663' ' ' LYS . 0.0 OUTLIER -81.22 -40.38 23.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.691 179.102 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.512 ' OD1' ' CD ' ' A' ' 667' ' ' LYS . 15.9 m-20 -100.11 68.82 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.55 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.537 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.6 OUTLIER -58.57 -79.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.454 -179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.13 -21.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.911 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.512 ' CD ' ' OD1' ' A' ' 664' ' ' ASN . 0.3 OUTLIER -97.79 131.34 44.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.354 . . . . 0.0 110.791 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.507 ' N ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -80.37 163.23 24.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.494 -179.468 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.64 ' CG2' ' CD2' ' A' ' 657' ' ' HIS . 1.0 OUTLIER -137.98 117.67 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.696 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.543 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 13.6 mp0 -108.39 131.71 54.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.391 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.424 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 0.2 OUTLIER -152.09 161.52 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.468 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.967 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.5 m95 -103.14 134.16 47.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.743 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.883 ' NE2' HD11 ' A' ' 646' ' ' LEU . 90.7 m-70 -120.43 129.36 53.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.338 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.528 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 68.0 mt-30 -75.84 120.18 20.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.438 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.916 HD12 ' H ' ' A' ' 542' ' ' GLY . 97.7 mt -55.04 127.8 30.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.519 . . . . 0.0 111.527 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.534 ' HG3' ' N ' ' A' ' 677' ' ' ASN . 1.8 pt20 -106.79 -179.47 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.031 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.534 ' N ' ' HG3' ' A' ' 676' ' ' GLN . 3.3 m-20 -121.34 114.85 21.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.599 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . 0.566 ' CG ' ' N ' ' A' ' 679' ' ' ASN . 0.1 OUTLIER -90.19 -79.44 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.906 -179.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . 0.566 ' N ' ' CG ' ' A' ' 678' ' ' GLU . 1.6 t-20 -133.88 -169.49 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.97 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 13.8 m80 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.956 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.775 0.321 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.577 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 110.77 178.4 20.56 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.574 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.55 139.05 38.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.701 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.509 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -117.79 124.53 73.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.453 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.938 ' HG ' HD13 ' A' ' 562' ' ' ILE . 15.9 tp -79.64 122.52 26.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.641 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 627' ' ' ILE . 52.7 t -120.96 137.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.054 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.1 p -114.2 114.32 25.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.311 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 669' ' ' ILE . 7.0 mt -99.27 154.43 18.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.043 0.449 . . . . 0.0 111.348 -179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.518 ' O ' ' N ' ' A' ' 558' ' ' ILE . 3.4 tmm? -179.53 136.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.52 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.7 t80 -112.31 132.45 54.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.975 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . 0.484 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -103.65 87.41 2.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.839 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.597 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -54.7 -38.5 67.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.051 0.453 . . . . 0.0 110.129 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.489 ' NE2' ' OG1' ' A' ' 552' ' ' THR . 0.0 OUTLIER -47.44 -45.45 25.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.953 179.321 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -90.83 -19.63 23.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.527 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 77.97 38.34 26.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.529 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -147.65 171.03 28.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.632 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.609 HD12 ' H ' ' A' ' 558' ' ' ILE . 9.2 tp -96.26 161.48 13.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.728 0.299 . . . . 0.0 110.697 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.847 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -131.35 132.06 62.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.205 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.885 HG11 HD22 ' A' ' 582' ' ' LEU . 2.8 t -121.22 121.3 64.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.623 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -111.14 114.07 3.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.447 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 0.957 HD11 ' CD2' ' A' ' 582' ' ' LEU . 28.0 mm -93.32 97.1 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.9 mp -75.81 -75.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.8 OUTLIER -160.62 173.29 15.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 112.007 -179.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.509 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.0 OUTLIER -128.52 160.95 30.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.802 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 30.6 m -147.27 145.69 18.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.313 0.578 . . . . 0.0 112.548 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.533 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.28 51.37 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.675 179.199 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.707 ' O ' HD13 ' A' ' 603' ' ' LEU . 35.3 mt -89.13 142.1 27.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.815 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -71.29 152.98 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.368 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.562 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -112.27 108.73 18.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.197 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.495 ' HE1' HG12 ' A' ' 641' ' ' ILE . 3.1 mtm -85.53 -24.76 27.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.921 0.391 . . . . 0.0 110.988 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.3 156.12 35.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.608 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -75.11 1.46 13.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.28 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -91.9 -9.28 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.836 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.483 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.19 -0.76 64.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.248 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.562 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -123.26 -169.36 1.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.979 0.419 . . . . 0.0 111.823 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.462 ' C ' ' HD3' ' A' ' 578' ' ' PRO . 0.4 OUTLIER -149.55 170.38 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.971 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 45.0 m-20 -115.9 64.25 2.4 Favored Pre-proline 0 C--N 1.33 -0.256 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.569 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 37.1 Cg_endo -67.21 135.66 37.84 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 123.088 2.525 . . . . 0.0 115.681 -177.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.623 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 35.3 p90 -144.36 161.01 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 113.973 -1.467 . . . . 0.0 107.156 176.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 629' ' ' VAL . 42.5 t -117.03 136.91 52.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 C-N-CA 119.707 -0.797 . . . . 0.0 113.121 -178.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.606 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 6.3 mttt -115.96 133.25 56.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.5 178.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.957 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.7 135.46 55.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.814 0.34 . . . . 0.0 111.405 -179.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.592 ' CE3' ' HE3' ' A' ' 593' ' ' LYS . 5.6 t90 -144.44 121.26 11.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.995 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 623' ' ' LYS . 16.3 tp -96.89 109.48 22.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.2 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.526 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER -91.26 159.93 38.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.393 179.706 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' A' ' 585' ' ' LYS . 5.7 Cg_exo -80.21 109.58 1.56 Allowed 'Cis proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.963 -1.266 . . . . 0.0 111.929 0.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.498 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 5.4 p-10 -24.34 107.49 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.711 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 2.2 ptp -79.43 -25.32 42.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.138 0.494 . . . . 0.0 110.254 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -137.37 -137.42 3.61 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.94 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -129.36 8.94 5.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.817 0.341 . . . . 0.0 110.587 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -116.47 10.25 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -67.31 -17.62 64.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.966 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.592 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 7.9 mmtm -83.65 157.98 22.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.76 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 9.3 m-70 -153.99 170.82 20.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.002 0.43 . . . . 0.0 111.409 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.504 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.16 119.78 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.426 179.483 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.912 HG21 HG21 ' A' ' 561' ' ' ILE . 8.1 p -74.03 164.24 26.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.796 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -49.19 140.5 9.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.426 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.788 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.0 mm -81.18 119.52 30.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.869 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.28 60.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.057 0.456 . . . . 0.0 110.261 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.532 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.1 OUTLIER -48.88 138.23 11.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -179.434 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.507 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 68.81 63.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.832 -0.622 . . . . 0.0 112.115 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.873 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.1 t 178.71 149.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.917 0.389 . . . . 0.0 111.192 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 567' ' ' LEU . 19.6 mt -119.63 -13.21 9.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.934 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -133.79 52.19 7.81 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.535 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.873 ' HB3' HG21 ' A' ' 602' ' ' THR . 96.1 Cg_endo -78.32 179.84 6.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 123.002 2.468 . . . . 0.0 112.961 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.498 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 25.3 tt0 -128.24 118.88 24.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.396 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.499 ' N ' ' O ' ' A' ' 562' ' ' ILE . 51.8 m-85 -87.03 -61.37 1.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 561' ' ' ILE . 2.1 t-20 56.4 45.97 21.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.255 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.525 ' OE1' ' CG2' ' A' ' 558' ' ' ILE . 0.2 OUTLIER -103.41 121.53 42.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.437 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.559 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 30.1 m-85 -102.61 178.46 4.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.008 -179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.847 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.6 t80 -150.73 121.89 7.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.461 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.3 m-85 -101.7 154.18 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.533 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -109.08 65.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.098 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.882 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -131.57 139.4 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.735 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -72.21 131.27 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.456 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.577 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.0 t-80 -41.51 -51.71 3.82 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 73.0 m -52.24 -19.42 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.237 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.882 ' CB ' HD11 ' A' ' 615' ' ' ILE . 61.4 m-20 -102.43 -30.36 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.716 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.3 -66.34 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.646 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.814 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.91 -48.18 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.478 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.95 -17.31 64.58 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.968 0.413 . . . . 0.0 111.186 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.811 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.0 mmpt? -74.0 -177.33 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.374 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.14 102.99 1.45 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.982 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 18.8 tp -79.39 138.15 37.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.129 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -122.59 95.56 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.591 HD11 HD12 ' A' ' 646' ' ' LEU . 1.4 mp -90.69 104.31 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.487 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 3.0 m -117.96 143.56 46.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.796 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.879 HG22 HG22 ' A' ' 580' ' ' VAL . 14.9 t -111.92 136.54 47.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.286 179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.623 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 47.9 m95 -128.51 148.62 50.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.756 0.312 . . . . 0.0 111.832 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.524 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.8 OUTLIER -87.83 93.99 9.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.118 0.485 . . . . 0.0 109.868 178.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.788 ' CG ' HG21 ' A' ' 598' ' ' ILE . 26.7 t80 -53.23 162.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.5 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -159.3 124.37 4.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.71 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.701 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -85.72 138.2 19.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.99 -13.94 41.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.669 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 -166.71 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 111.021 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.4 m -79.64 173.15 12.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -89.66 -161.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 631' ' ' ASP . 16.3 m-20 -156.05 142.84 18.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.562 ' HA ' ' CE3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -87.06 114.57 23.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.934 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.524 HD11 ' HB2' ' A' ' 631' ' ' ASP . 31.1 mt -91.02 -37.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.033 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 147.27 166.94 12.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.252 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -165.17 -164.0 19.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.608 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 4.8 p -160.59 143.29 13.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.494 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 51.9 mt-30 -91.81 148.61 22.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.784 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.591 HD12 HD11 ' A' ' 627' ' ' ILE . 15.3 mt -137.5 84.7 2.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.192 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -128.88 145.47 16.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.63 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.962 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.3 tt -62.57 -10.88 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-O 121.013 0.435 . . . . 0.0 111.437 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.8 t -92.51 16.5 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.0 109.913 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -94.24 -171.29 2.49 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.292 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 0.2 OUTLIER -157.36 132.37 8.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.761 179.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 118.3 -85.6 0.39 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.563 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.61 -36.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.056 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.494 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.6 mtt-85 -49.3 -38.97 29.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 648' ' ' ILE . 11.5 tp -73.12 -45.85 54.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.94 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.535 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 8.1 mttm -49.86 -62.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.993 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.641 ' CD2' HG21 ' A' ' 669' ' ' ILE . 10.9 t-160 -59.32 -52.96 63.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.971 0.415 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 59.8 t-105 -59.24 -78.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.264 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.566 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.11 -61.37 1.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.914 -179.593 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.549 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 12.8 pt-20 -41.98 -34.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 -179.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 40.8 t -58.39 -41.53 85.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.167 0.508 . . . . 0.0 109.732 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.814 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -58.12 -32.05 67.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.069 179.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -81.41 -42.64 20.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.509 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 80.3 m-20 -101.15 66.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.468 179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.597 ' HD3' HG22 ' A' ' 552' ' ' THR . 15.8 mttt -65.46 -73.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.375 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -20.6 0.55 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.615 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -97.5 136.24 38.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 111.01 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.4 OUTLIER -79.99 142.76 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.4 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.641 HG21 ' CD2' ' A' ' 657' ' ' HIS . 1.1 mt -111.18 158.12 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.341 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.503 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 11.8 mt-10 -159.34 125.25 4.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.908 0.385 . . . . 0.0 111.208 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.429 ' O ' HD12 ' A' ' 545' ' ' LEU . 6.1 mmm180 -153.19 165.44 35.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.625 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.934 ' NE1' HD13 ' A' ' 545' ' ' LEU . 80.3 m95 -104.56 132.67 50.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.667 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.539 ' NE2' HD11 ' A' ' 646' ' ' LEU . 54.5 m-70 -116.73 129.56 56.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -76.88 105.08 7.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.254 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.502 HD11 ' CD2' ' A' ' 567' ' ' LEU . 92.4 mt -40.92 128.17 2.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.1 mt-30 -125.37 159.8 30.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.574 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.475 ' ND2' ' OD1' ' A' ' 679' ' ' ASN . 5.2 t-20 -91.96 129.29 37.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.8 -43.84 62.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . 0.475 ' OD1' ' ND2' ' A' ' 677' ' ' ASN . 13.6 p30 -87.03 177.06 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 566' ' ' HIS . 60.4 mtm180 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.772 0.32 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.62 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . -130.67 -168.05 12.15 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.914 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.401 ' HG2' ' HA ' ' A' ' 674' ' ' GLN . 0.1 OUTLIER -129.27 145.33 51.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.58 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -119.23 128.95 75.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.037 0.446 . . . . 0.0 111.825 -179.525 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.926 ' HG ' HD13 ' A' ' 562' ' ' ILE . 17.8 tp -79.65 112.39 16.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.476 HG23 HG23 ' A' ' 544' ' ' ILE . 54.1 t -111.33 130.12 65.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.082 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.944 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.3 p -114.57 111.87 22.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.624 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 669' ' ' ILE . 41.6 mt -94.37 164.76 12.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.1 0.476 . . . . 0.0 111.256 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.537 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 1.2 ttt 176.51 123.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.17 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.575 ' CE1' ' HG ' ' A' ' 620' ' ' LEU . 50.1 t80 -102.45 130.35 49.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.026 0.441 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.61 82.78 2.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.468 HG22 ' HD2' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -50.62 -33.48 22.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.51 . . . . 0.0 109.907 179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.453 ' NE2' ' H ' ' A' ' 553' ' ' GLN . 1.6 mp0 -52.38 -49.77 63.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.664 179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -85.54 -15.56 42.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.983 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 73.79 40.4 45.15 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.396 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.53 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -152.02 173.85 31.14 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.435 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.605 HD12 ' H ' ' A' ' 558' ' ' ILE . 8.6 tp -98.33 160.82 14.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 110.72 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.83 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -131.95 119.72 41.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.799 HG11 HD22 ' A' ' 582' ' ' LEU . 2.1 t -106.65 120.69 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -110.56 117.4 4.64 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.338 -0.934 . . . . 0.0 113.369 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 0.845 HD11 HD21 ' A' ' 582' ' ' LEU . 10.4 mm -96.57 95.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.944 HD11 ' HB3' ' A' ' 547' ' ' SER . 1.9 mp -73.13 -71.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.6 OUTLIER -160.49 176.56 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.179 0.514 . . . . 0.0 112.008 -179.066 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.62 ' SG ' HD11 ' A' ' 567' ' ' LEU . 4.6 p -133.54 159.79 39.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.812 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 28.0 m -147.2 144.74 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.328 0.585 . . . . 0.0 112.565 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.534 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.7 OUTLIER 63.73 44.98 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.608 179.125 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.697 ' O ' HD13 ' A' ' 603' ' ' LEU . 14.9 mt -81.1 157.01 25.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.881 0.372 . . . . 0.0 111.25 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -76.98 159.11 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.014 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.502 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.19 118.49 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.241 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.49 ' N ' ' OG ' ' A' ' 576' ' ' SER . 11.2 mmt -86.5 -22.14 26.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.666 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -89.26 157.58 18.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.968 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.39 -3.25 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -83.75 -11.74 56.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.782 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.502 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.5 7.38 59.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.598 ' C ' HD21 ' A' ' 603' ' ' LEU . 2.9 m-85 -120.89 -168.53 1.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 111.702 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.765 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.8 OUTLIER -160.24 177.31 10.78 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.136 0.494 . . . . 0.0 111.417 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.552 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.5 m-20 -122.77 57.93 10.58 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.174 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.709 ' HB3' HD12 ' A' ' 641' ' ' ILE . 35.2 Cg_endo -66.27 138.05 49.78 Favored 'Trans proline' 0 C--O 1.23 0.099 0 C-N-CA 123.283 2.655 . . . . 0.0 115.015 -177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 12.8 p90 -136.42 161.58 35.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.326 -1.307 . . . . 0.0 107.785 177.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 629' ' ' VAL . 22.0 t -116.25 128.34 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 119.962 -0.695 . . . . 0.0 112.501 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 0.1 OUTLIER -111.42 135.98 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.806 179.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.845 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.13 136.66 53.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 0.0 111.736 -179.118 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.529 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.0 t90 -143.05 115.86 8.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.926 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.4 tp -93.35 121.42 34.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.053 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.463 ' HA ' ' C ' ' A' ' 586' ' ' PRO . 5.3 mttm -99.64 153.79 37.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.801 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 8.1 Cg_exo -73.26 -179.5 25.18 Favored 'Cis proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.732 -1.778 . . . . 0.0 111.668 -0.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -87.31 104.24 16.22 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.329 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -29.64 24.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.169 0.509 . . . . 0.0 109.804 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -132.45 -136.59 3.82 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.763 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 7.85 3.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.954 0.406 . . . . 0.0 110.573 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.05 6.18 14.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.558 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -52.23 -29.05 20.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.651 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.517 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 2.8 mttt -84.51 158.26 21.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.796 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.667 ' HB2' HD12 ' A' ' 582' ' ' LEU . 17.9 m-70 -153.36 174.43 14.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.231 0.539 . . . . 0.0 111.694 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.1 OUTLIER -161.14 115.33 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.916 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.4 p -72.98 156.9 38.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.254 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -40.05 144.84 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.365 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.674 HG21 ' CG ' ' A' ' 632' ' ' TYR . 3.9 mm -76.97 123.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.603 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.577 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -93.54 68.14 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.7 178.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 1.5 mttt -65.33 137.93 57.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.026 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.505 ' O ' ' HB ' ' A' ' 602' ' ' THR . 27.4 mmtt 64.85 57.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.962 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.804 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.0 t 179.0 145.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 111.375 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.765 HD21 ' N ' ' A' ' 576' ' ' SER . 10.8 mt -118.72 -11.39 9.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.78 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.533 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 58.9 m-80 -131.27 47.85 3.22 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.409 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.804 ' HB3' HG21 ' A' ' 602' ' ' THR . 79.8 Cg_endo -77.11 -172.64 1.5 Allowed 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.025 2.483 . . . . 0.0 113.432 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.6 mt-10 -132.32 114.96 15.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.096 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.822 ' CB ' HG22 ' A' ' 561' ' ' ILE . 75.0 m-85 -80.03 -57.28 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.654 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.1 t30 52.45 46.8 26.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.004 0.43 . . . . 0.0 110.066 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 12.6 mm-40 -106.43 133.53 50.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.065 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.478 ' N ' ' CD ' ' A' ' 610' ' ' GLU . 0.2 OUTLIER -110.19 111.11 22.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 45.5 m-85 -94.58 171.43 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.162 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.83 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.3 t80 -143.58 121.31 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.561 179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.612 ' HE1' HG21 ' A' ' 559' ' ' VAL . 7.5 m-85 -102.95 153.3 20.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.712 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -108.91 67.9 0.67 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.873 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.7 OUTLIER -135.97 136.15 49.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.46 141.14 54.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.289 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.592 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 56.4 t-80 -50.15 -45.61 53.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.975 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.03 -23.52 5.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.977 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.873 ' CB ' HD11 ' A' ' 615' ' ' ILE . 0.9 OUTLIER -103.88 -31.16 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.749 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.692 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.76 -66.68 0.17 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.536 179.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.791 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.42 -54.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.484 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -62.56 -15.66 52.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.391 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.808 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.4 mmpt? -70.93 176.93 3.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.966 0.412 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.48 102.39 2.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.432 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 582' ' ' LEU . 58.8 tp -79.94 128.19 33.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.214 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -110.14 96.21 6.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.781 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.661 HD11 HD12 ' A' ' 646' ' ' LEU . 1.7 mp -92.2 100.8 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.755 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 58.0 p -113.08 136.99 52.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.126 0.488 . . . . 0.0 111.717 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.735 HG22 HG22 ' A' ' 580' ' ' VAL . 22.0 t -107.32 123.71 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.32 179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.8 m95 -123.75 148.62 46.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.408 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.728 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -85.17 113.93 21.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.002 0.429 . . . . 0.0 109.947 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.766 ' HE1' HG23 ' A' ' 634' ' ' ILE . 49.7 t80 -70.88 166.79 20.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.392 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.4 m-20 -160.03 126.49 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.588 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.766 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.94 133.25 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.002 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 70.36 3.15 45.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.378 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 -162.41 1.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 110.82 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.42 137.55 41.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.733 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.401 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 6.6 p-10 -55.9 -166.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.035 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 631' ' ' ASP . 3.3 m-20 -157.56 145.0 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -84.27 119.14 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.943 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.728 HD11 ' HB2' ' A' ' 631' ' ' ASP . 18.2 mt -97.7 -42.5 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.009 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.613 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 153.07 158.79 8.71 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.486 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.54 -165.87 16.6 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.71 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -164.55 145.16 7.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.819 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.499 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 2.1 mt-30 -91.2 149.61 21.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.682 HD21 ' CE1' ' A' ' 673' ' ' HIS . 15.7 mt -138.14 88.03 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.985 0.421 . . . . 0.0 111.312 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -132.83 143.81 15.58 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.549 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.948 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.4 tt -61.49 -12.03 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-O 121.007 0.432 . . . . 0.0 111.403 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 7.7 t -89.23 15.57 8.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.902 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -94.14 -176.85 4.11 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.285 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 24.5 mmtt -154.6 131.99 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.665 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . 0.475 ' O ' ' HD2' ' A' ' 656' ' ' LYS . . . 119.9 -68.23 0.39 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.671 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.498 ' HA ' ' HD3' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -148.45 -46.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.5 OUTLIER -42.81 -27.39 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.682 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.948 HD12 ' HA ' ' A' ' 648' ' ' ILE . 12.2 tp -84.76 -43.61 14.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.138 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 653' ' ' GLU . 3.6 mttp -49.63 -61.13 2.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.387 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.551 ' CD2' HG22 ' A' ' 669' ' ' ILE . 12.7 t-160 -64.17 -55.82 19.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.868 0.366 . . . . 0.0 111.405 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 53.8 t-105 -52.77 -70.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.263 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.654 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -50.0 -61.35 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.077 -179.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 17.4 pt-20 -43.54 -27.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.497 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.489 ' SG ' ' CB ' ' A' ' 548' ' ' LEU . 3.5 t -66.63 -42.5 86.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 178.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.791 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -56.58 -27.69 58.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.309 178.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 660' ' ' GLU . 0.4 OUTLIER -79.2 -43.59 23.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.852 179.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.484 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -103.02 49.15 0.84 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.704 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.592 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 7.0 mtmt -47.36 -63.39 1.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.337 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -59.61 -11.78 5.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.804 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -106.8 147.75 29.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.814 0.34 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.501 ' HG2' ' N ' ' A' ' 669' ' ' ILE . 1.5 ttpt -80.58 145.69 31.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.264 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.2 mt -136.28 122.86 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.483 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.484 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.7 OUTLIER -129.55 152.1 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 111.716 -179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.537 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.06 160.64 8.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.572 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.865 ' CE2' HD13 ' A' ' 545' ' ' LEU . 90.4 m95 -93.04 132.89 36.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.4 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.682 ' CE1' HD21 ' A' ' 646' ' ' LEU . 77.2 m-70 -113.84 131.08 56.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.711 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' A' ' 543' ' ' LYS . 0.5 OUTLIER -79.54 108.09 12.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.612 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.613 HD22 ' O ' ' A' ' 642' ' ' GLY . 64.6 mt -52.55 136.76 31.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.359 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.472 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 2.0 mt-30 -118.86 163.65 16.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.534 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -117.18 111.02 18.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -82.27 -73.87 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . 0.439 ' O ' ' O ' ' A' ' 680' ' ' HIS . 0.1 OUTLIER -123.06 128.12 49.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 679' ' ' ASN . 43.7 m80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 641' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.787 0.327 . . . . 0.0 111.25 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 109.99 173.82 20.61 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.637 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER -135.39 135.8 40.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.633 0.254 . . . . 0.0 110.432 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.482 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -111.66 129.04 67.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.426 . . . . 0.0 111.392 -179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.934 ' HG ' HD13 ' A' ' 562' ' ' ILE . 15.8 tp -80.98 116.06 20.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.62 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.417 HG23 HG23 ' A' ' 544' ' ' ILE . 54.4 t -115.98 130.64 70.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.287 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.794 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.3 p -115.03 117.32 30.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.618 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.53 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.4 mt -100.16 164.56 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.007 0.432 . . . . 0.0 111.407 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.527 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.2 tmm? 174.34 127.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.467 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 557' ' ' LEU . 49.2 t80 -107.9 131.88 54.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.86 0.362 . . . . 0.0 110.744 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 1.6 t -99.97 80.67 2.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.131 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 553' ' ' GLN . 1.3 p -52.19 -41.23 62.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.327 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 552' ' ' THR . 0.0 OUTLIER -38.54 -41.79 0.7 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.892 179.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.509 ' HG3' ' N ' ' A' ' 555' ' ' GLY . 0.0 OUTLIER -99.17 -39.59 8.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.035 179.679 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . 0.509 ' N ' ' HG3' ' A' ' 554' ' ' GLN . . . 104.92 31.3 4.5 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.567 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.481 ' C ' ' CE2' ' A' ' 550' ' ' TYR . . . -133.11 163.27 24.3 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.815 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.523 ' HA ' ' CD2' ' A' ' 550' ' ' TYR . 11.7 tp -94.69 156.24 16.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.667 0.27 . . . . 0.0 110.398 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.919 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.0 OUTLIER -129.12 128.92 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.025 0.44 . . . . 0.0 110.972 179.843 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.549 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.8 t -118.28 121.2 66.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.639 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -113.39 117.69 4.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.428 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 0.922 HD11 HD21 ' A' ' 582' ' ' LEU . 7.4 mm -97.44 95.52 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.934 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mp -70.34 -71.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.11 -178.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.508 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -164.67 177.59 7.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 112.081 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.627 ' SG ' HD11 ' A' ' 567' ' ' LEU . 4.1 p -131.18 159.97 36.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.724 179.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 31.2 m -145.35 146.37 19.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.241 0.543 . . . . 0.0 112.329 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 57.57 55.63 5.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.425 179.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.761 ' O ' HD13 ' A' ' 603' ' ' LEU . 26.9 mt -89.53 149.52 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.773 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -73.3 148.65 43.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.396 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.606 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -113.81 109.83 19.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.137 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.636 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.3 mtm -86.04 -25.56 25.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.984 0.421 . . . . 0.0 110.765 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -67.17 150.53 48.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.615 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.9 -6.85 23.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -83.33 -10.37 58.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.492 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.98 4.82 64.65 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.222 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.606 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -124.85 -169.2 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.932 0.396 . . . . 0.0 111.795 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.467 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 0.6 OUTLIER -152.7 176.56 11.63 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.154 -179.763 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.541 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 3.5 m-20 -123.63 62.02 23.54 Favored Pre-proline 0 N--CA 1.463 0.196 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.684 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.6 Cg_endo -68.17 144.07 61.66 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.15 2.566 . . . . 0.0 115.289 -177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 581' ' ' LYS . 19.7 p90 -144.73 162.02 37.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.399 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.613 HG22 HG22 ' A' ' 629' ' ' VAL . 24.4 t -114.62 129.08 71.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 119.756 -0.778 . . . . 0.0 112.851 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.635 ' CD ' ' CD1' ' A' ' 630' ' ' TRP . 0.1 OUTLIER -111.56 130.09 55.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.526 178.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -124.71 133.84 53.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.595 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 5.6 t90 -141.32 116.35 9.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 623' ' ' LYS . 6.8 tp -95.52 120.71 36.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.993 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.591 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.1 OUTLIER -101.32 175.27 2.41 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.584 179.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.563 ' O ' ' CB ' ' A' ' 587' ' ' ASP . 36.8 Cg_exo -61.17 -11.29 2.55 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.34 -1.525 . . . . 0.0 112.384 0.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.591 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 0.0 OUTLIER 95.32 137.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.409 179.418 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . 0.459 ' SD ' ' O ' ' A' ' 614' ' ' ASP . 2.6 ptp -100.79 -39.43 7.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.709 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -138.69 -140.45 3.98 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -111.62 5.28 19.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.733 0.301 . . . . 0.0 110.967 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -101.48 -2.67 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.983 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -56.57 -23.12 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.086 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.595 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 0.0 OUTLIER -92.51 164.69 13.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 -179.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.835 ' HB2' HD12 ' A' ' 582' ' ' LEU . 22.7 m-70 -160.57 174.36 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.526 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.532 ' HG3' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -160.05 110.68 1.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.314 179.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.677 HG21 HG21 ' A' ' 561' ' ' ILE . 10.9 p -65.26 150.16 48.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.965 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 596' ' ' THR . 3.3 mt-30 -38.91 139.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.573 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.821 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.7 mm -75.89 119.84 24.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -96.82 74.82 2.69 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.588 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -64.73 139.11 58.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.843 -178.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.442 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 65.76 61.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.747 179.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.86 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.8 t -178.93 147.69 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 111.216 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 567' ' ' LEU . 16.7 mt -119.46 -12.58 9.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.887 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.508 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.5 OUTLIER -132.76 49.64 4.7 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.431 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.86 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.2 Cg_endo -75.7 -176.99 3.27 Favored 'Trans proline' 0 C--O 1.231 0.131 0 C-N-CA 123.05 2.5 . . . . 0.0 112.976 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.508 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.5 tm-20 -127.28 121.26 30.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.404 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.558 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 60.0 m-85 -87.03 -58.33 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.224 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 561' ' ' ILE . 39.8 t30 49.21 46.13 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.299 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.31 121.67 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.388 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -97.21 114.44 26.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.592 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 46.1 m-85 -96.81 178.67 5.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.228 0.537 . . . . 0.0 111.717 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.919 ' HD1' HD13 ' A' ' 558' ' ' ILE . 14.1 t80 -152.44 129.2 10.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.657 179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 8.8 m-85 -108.07 156.76 18.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.62 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.459 ' O ' ' SD ' ' A' ' 588' ' ' MET . 4.7 m-20 -111.05 58.29 0.62 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.084 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.896 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -121.11 142.41 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.421 ' N ' HG13 ' A' ' 615' ' ' ILE . 24.2 mttt -76.33 132.03 39.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.478 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.541 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 56.5 t-80 -42.66 -46.44 5.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.197 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 13.7 m -53.1 -24.46 10.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.896 ' CB ' HD11 ' A' ' 615' ' ' ILE . 4.7 m-20 -101.57 -27.99 12.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.621 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.769 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -35.44 -67.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.501 179.548 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.768 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.82 -57.78 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.772 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -62.34 -18.74 62.23 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.589 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.799 ' HD2' HD13 ' A' ' 615' ' ' ILE . 11.4 mmpt? -64.18 170.93 3.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.107 0.48 . . . . 0.0 111.22 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 79.1 p -151.65 102.87 2.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.394 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 646' ' ' LEU . 38.0 tp -85.91 123.28 31.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.095 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 645' ' ' GLN . 14.7 t0 -107.28 100.38 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.572 HD11 HD12 ' A' ' 646' ' ' LEU . 3.2 mp -92.54 101.33 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.497 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.5 m -115.96 132.65 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.127 0.489 . . . . 0.0 111.642 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.613 HG22 HG22 ' A' ' 580' ' ' VAL . 10.1 t -102.33 126.13 56.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.041 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.635 ' CD1' ' CD ' ' A' ' 581' ' ' LYS . 34.5 m95 -124.4 149.65 46.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.966 0.412 . . . . 0.0 111.829 -178.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.551 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.7 OUTLIER -84.88 111.91 20.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.13 179.125 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.821 ' CD2' HD12 ' A' ' 598' ' ' ILE . 28.8 t80 -74.54 164.65 26.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.316 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 19.6 m-20 -160.03 127.59 4.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.507 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -79.12 137.21 22.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.214 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . 0.45 ' O ' ' HD3' ' A' ' 636' ' ' LYS . . . 73.23 -1.23 43.07 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.833 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . 0.45 ' HD3' ' O ' ' A' ' 635' ' ' GLY . 8.9 mmtm -138.59 -173.64 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.829 0.347 . . . . 0.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.0 OUTLIER -80.05 -169.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.695 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 638' ' ' ASN . 0.0 OUTLIER -105.92 176.2 5.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.927 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 74.5 m-20 -135.55 145.71 47.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.682 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.601 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.52 110.09 20.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.953 0.406 . . . . 0.0 111.038 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.636 HG12 ' HE1' ' A' ' 570' ' ' MET . 54.2 mt -88.35 -38.79 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.637 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.532 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 153.55 165.34 13.49 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.058 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.97 -167.51 27.76 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.418 -0.896 . . . . 0.0 113.016 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.48 147.11 4.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.597 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 0.5 OUTLIER -94.84 163.54 13.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.621 HD11 ' NE2' ' A' ' 673' ' ' HIS . 38.5 mt -150.38 88.45 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.072 0.463 . . . . 0.0 111.479 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.59 144.58 15.7 Favored Glycine 0 N--CA 1.451 -0.335 0 N-CA-C 111.386 -0.686 . . . . 0.0 111.386 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.909 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.3 tt -56.64 -15.8 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 116.982 0.391 . . . . 0.0 111.695 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 3.4 t -77.89 1.26 21.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.319 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.544 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -88.0 -167.27 1.83 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.333 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.437 ' HG3' ' C ' ' A' ' 650' ' ' ALA . 2.4 mttp -148.7 130.42 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 97.69 -122.31 7.42 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.685 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 656' ' ' LYS . 18.1 mt-10 -69.64 -53.07 20.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.02 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.544 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER -45.24 -34.69 2.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.762 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.86 HD12 ' HA ' ' A' ' 648' ' ' ILE . 23.1 tp -86.32 -46.25 10.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.527 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 10.1 pttt -56.05 -52.76 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.611 ' CD2' HG22 ' A' ' 669' ' ' ILE . 6.0 t-160 -62.53 -59.28 5.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.202 0.525 . . . . 0.0 110.584 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.7 t-105 -59.25 -82.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.239 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.909 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.98 -64.4 0.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.645 -179.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.613 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 3.3 pt-20 -44.91 -33.56 2.03 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.932 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 21.4 t -58.82 -42.42 89.16 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.768 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -55.85 -29.64 60.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.05 178.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 0.0 OUTLIER -83.04 -40.27 20.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.005 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.483 ' OD1' ' HE3' ' A' ' 667' ' ' LYS . 7.5 m-20 -98.27 42.17 1.1 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.541 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.1 OUTLIER -46.19 -65.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.053 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -58.39 -14.91 8.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 549' ' ' MET . 8.4 mtmt -102.65 151.55 22.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.726 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.481 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -90.83 149.36 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.076 0.465 . . . . 0.0 111.348 -179.627 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.613 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -137.65 120.96 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.847 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 18.6 pm0 -129.99 148.63 51.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.99 0.424 . . . . 0.0 111.29 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.596 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -166.74 163.22 16.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.849 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.917 ' CE2' HD13 ' A' ' 545' ' ' LEU . 88.2 m95 -96.28 131.58 42.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.073 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.621 ' NE2' HD11 ' A' ' 646' ' ' LEU . 38.7 m-70 -109.72 132.07 54.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -79.5 100.23 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.04 0.448 . . . . 0.0 110.276 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.532 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 91.1 mt -44.67 128.77 6.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.581 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 1.1 mt-30 -120.78 175.92 5.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -107.39 100.41 9.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . 0.441 ' HA ' ' OE1' ' A' ' 678' ' ' GLU . 0.0 OUTLIER -49.98 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -97.07 -75.15 0.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.941 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.802 0.334 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.555 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 128.43 173.29 13.4 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.498 ' HD3' ' CG2' ' A' ' 565' ' ' VAL . 0.1 OUTLIER -135.34 141.34 45.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.679 0.276 . . . . 0.0 110.572 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.516 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -118.54 126.7 75.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.967 0.413 . . . . 0.0 111.466 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.917 HD13 ' CE2' ' A' ' 672' ' ' TRP . 15.5 tp -79.89 120.15 23.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.727 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.68 130.66 74.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.814 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.692 ' HB3' HD11 ' A' ' 562' ' ' ILE . 62.4 p -114.89 105.62 13.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 669' ' ' ILE . 30.6 mt -85.79 162.47 18.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.386 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.521 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.6 OUTLIER 175.35 123.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.32 179.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.479 ' HB3' ' HG2' ' A' ' 665' ' ' LYS . 45.1 t80 -100.17 128.86 46.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 111.241 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.56 77.99 1.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.822 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.406 ' H ' HG23 ' A' ' 552' ' ' THR . 1.5 p -44.7 -42.75 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.064 0.459 . . . . 0.0 109.989 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -46.55 59.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.041 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -82.14 -18.97 40.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.458 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.66 34.81 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.534 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -159.45 166.2 34.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.7 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.558 ' HB2' HD11 ' A' ' 620' ' ' LEU . 9.1 tp -90.28 159.29 16.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.739 0.304 . . . . 0.0 110.325 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.833 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -129.72 119.64 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.902 0.382 . . . . 0.0 111.188 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.768 HG11 HD22 ' A' ' 582' ' ' LEU . 2.1 t -105.58 117.72 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.473 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -104.0 106.6 2.82 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.286 -0.959 . . . . 0.0 113.727 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 0.952 HD11 ' CD2' ' A' ' 582' ' ' LEU . 32.7 mm -87.62 91.38 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.768 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -71.28 -77.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.538 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 4.5 ptp180 -159.14 168.09 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 111.854 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.653 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.9 OUTLIER -123.08 161.4 24.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.009 179.07 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . 0.498 ' CG2' ' HD3' ' A' ' 543' ' ' LYS . 22.5 m -145.61 149.85 16.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.231 0.539 . . . . 0.0 112.167 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.519 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 2.2 t-80 55.5 48.58 18.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.306 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.998 ' O ' HD13 ' A' ' 603' ' ' LEU . 28.2 mt -83.2 144.09 30.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.761 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.14 150.08 47.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.465 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.632 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -115.92 109.15 17.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.023 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.634 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.9 mtm -86.89 -22.06 25.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 110.861 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.31 150.17 46.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.553 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.19 -7.19 21.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.279 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -83.44 -10.04 58.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 92.72 5.0 65.04 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.226 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.612 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.81 -169.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 111.878 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.607 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.6 OUTLIER -153.41 170.1 21.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.126 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.474 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 46.5 m-20 -117.81 59.89 3.22 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 41.5 Cg_endo -68.2 142.75 56.56 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.386 2.724 . . . . 0.0 115.752 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.647 ' CE2' ' CE ' ' A' ' 581' ' ' LYS . 13.5 p90 -141.92 160.7 39.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.367 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.664 HG22 HG22 ' A' ' 629' ' ' VAL . 28.2 t -112.62 134.84 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 119.829 -0.749 . . . . 0.0 112.477 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.647 ' CE ' ' CE2' ' A' ' 579' ' ' PHE . 2.6 mttp -115.83 134.66 54.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.922 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.952 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.9 136.78 53.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.009 0.433 . . . . 0.0 111.477 -179.298 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.587 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.8 t90 -145.55 118.08 8.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.953 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.5 tp -94.4 110.47 22.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.983 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 583' ' ' TRP . 5.5 mttt -85.69 149.61 51.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.96 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 4.0 Cg_exo -75.74 -178.72 24.57 Favored 'Cis proline' 0 N--CA 1.455 -0.782 0 C-N-CA 122.645 -1.814 . . . . 0.0 111.559 -0.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 587' ' ' ASP . 9.0 p-10 -81.96 105.94 13.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.733 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . 0.475 ' HE1' HD23 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -79.84 -40.7 27.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.024 -179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -133.43 0.18 4.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.74 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 8.7 tttm 87.75 -35.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.478 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 593' ' ' LYS . 0.5 OUTLIER -66.57 -10.77 48.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.635 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -39.9 -26.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.766 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.587 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.7 mmtp -70.39 155.73 40.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.584 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 14.9 m-70 -156.0 166.44 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 111.373 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.538 ' CG ' ' HD3' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.38 110.6 2.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.883 HG21 HG21 ' A' ' 561' ' ' ILE . 7.3 p -68.01 157.14 35.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.836 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.506 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 1.1 pt20 -40.36 151.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.192 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.539 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.4 mm -84.89 121.43 36.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.334 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.585 ' O ' HG22 ' A' ' 602' ' ' THR . 2.1 mmpt? -90.31 76.29 6.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.105 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 632' ' ' TYR . 8.4 mmtm -53.8 146.52 13.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.15 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 33.39 73.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.258 -0.883 . . . . 0.0 112.371 179.155 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.751 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.7 t -177.67 144.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.857 0.36 . . . . 0.0 110.763 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.6 mt -118.68 -12.56 9.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 2.7 m-80 -127.85 46.91 2.31 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.545 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.751 ' HB3' HG21 ' A' ' 602' ' ' THR . 87.1 Cg_endo -78.26 178.55 7.45 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.863 2.376 . . . . 0.0 113.15 -179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.538 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 22.6 tt0 -130.76 113.73 14.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.525 ' N ' ' O ' ' A' ' 562' ' ' ILE . 66.0 m-85 -79.65 -56.69 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.356 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 23.6 t-20 55.46 46.04 23.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.044 0.449 . . . . 0.0 110.06 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.29 120.16 41.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.337 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.66 106.04 18.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.438 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 558' ' ' ILE . 19.8 m-85 -86.84 171.53 10.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.829 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.833 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.2 t80 -144.45 122.83 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.38 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.657 ' HE1' HG21 ' A' ' 559' ' ' VAL . 7.2 m-85 -103.0 152.25 21.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.739 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -106.07 65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.891 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -134.78 139.7 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.599 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.422 ' HA ' ' OH ' ' A' ' 550' ' ' TYR . 1.7 mmmp? -74.74 136.07 41.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.588 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 55.9 t-80 -43.55 -51.24 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 15.7 m -49.01 -22.27 0.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.891 ' CB ' HD11 ' A' ' 615' ' ' ILE . 8.4 m-20 -104.45 -30.81 9.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.814 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.675 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.7 -67.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.616 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.77 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.14 -55.55 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.818 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -62.96 -17.37 61.92 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.303 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.836 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.2 mmpt? -67.84 178.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 111.066 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 60.6 p -153.88 103.0 2.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.399 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 646' ' ' LEU . 33.1 tp -80.4 140.45 36.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.936 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 2.9 t70 -124.5 97.71 5.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.752 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -92.11 96.8 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.848 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 53.6 p -111.98 131.35 55.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.444 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.664 HG22 HG22 ' A' ' 580' ' ' VAL . 10.5 t -104.0 127.16 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.188 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.591 ' CD1' ' HE3' ' A' ' 581' ' ' LYS . 44.1 m95 -123.22 147.56 46.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 111.422 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.82 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.2 OUTLIER -86.25 110.69 19.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.267 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.76 ' HE1' HG23 ' A' ' 634' ' ' ILE . 30.0 t80 -61.6 164.05 6.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.1 OUTLIER -159.31 128.44 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.821 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.76 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.55 141.44 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.7 -3.83 54.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -167.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 0.1 OUTLIER -80.02 -174.91 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 -166.1 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 631' ' ' ASP . 21.1 m-20 -147.31 144.92 29.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.578 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.92 108.5 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.897 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.82 HD11 ' HB2' ' A' ' 631' ' ' ASP . 67.3 mt -87.39 -39.98 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.59 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.35 165.4 12.89 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -170.13 -160.21 17.9 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.581 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -170.61 154.28 4.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.49 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 5.9 mt-30 -97.73 157.2 16.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.752 HD12 HD11 ' A' ' 627' ' ' ILE . 26.1 mt -143.69 93.55 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.244 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.44 141.56 11.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.106 -0.568 . . . . 0.0 111.744 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.856 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.0 OUTLIER -57.2 -13.79 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.149 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 2.9 t -88.03 15.63 7.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.062 0.458 . . . . 0.0 109.962 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.533 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -94.61 -161.39 0.85 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.355 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -154.29 138.87 16.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.576 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . 0.464 ' O ' ' HG3' ' A' ' 656' ' ' LYS . . . 96.21 -110.17 3.98 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.392 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.46 -44.68 7.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.318 . . . . 0.0 111.047 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.533 ' HB2' ' CB ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER -43.49 -27.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.641 179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.0 tp -90.28 -52.3 5.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 11.4 mttm -48.86 -62.69 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.259 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.613 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 5.6 t-80 -54.2 -56.36 19.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 0.0 110.586 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.608 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.7 t-105 -60.4 -78.43 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.189 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.823 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -42.29 -64.93 0.52 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.393 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.579 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -44.33 -30.57 0.85 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.092 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 8.0 t -62.66 -41.26 98.97 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.77 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -58.45 -25.55 62.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.23 178.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.37 -44.04 16.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.076 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 1.9 m-20 -100.58 39.38 1.38 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.723 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.588 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -37.11 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.207 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.2 -22.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.468 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 549' ' ' MET . 17.8 mmtm -94.69 142.48 27.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 0.0 110.77 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.457 ' HE3' ' HB3' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -79.57 137.43 37.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.119 0.485 . . . . 0.0 111.126 -179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.587 HG22 ' CD2' ' A' ' 657' ' ' HIS . 0.8 OUTLIER -123.78 114.52 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.478 179.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.2 OUTLIER -120.51 150.01 41.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.089 0.471 . . . . 0.0 111.608 -179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.613 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -172.11 145.63 1.81 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.919 179.826 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.917 ' CE2' HD13 ' A' ' 545' ' ' LEU . 92.1 m95 -81.33 131.36 35.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.406 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.647 ' NE2' HD11 ' A' ' 646' ' ' LEU . 78.7 m-70 -110.84 130.48 55.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.707 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.36 107.68 11.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.59 HD22 ' O ' ' A' ' 642' ' ' GLY . 90.0 mt -49.93 129.32 20.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.182 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -117.79 164.9 14.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -102.91 112.93 25.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -85.16 -73.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 8.9 p-10 -140.28 165.99 25.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . 0.452 ' CD2' ' H ' ' A' ' 680' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.482 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 112.42 173.3 19.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.807 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.4 ' HG2' ' HA ' ' A' ' 674' ' ' GLN . 6.6 mtmm -132.74 139.94 47.83 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.656 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -117.74 127.8 75.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.003 0.43 . . . . 0.0 111.655 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.994 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.3 tp -80.27 131.11 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.562 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 50.7 t -130.46 135.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.228 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.533 ' HB3' HD11 ' A' ' 562' ' ' ILE . 26.3 p -115.48 111.15 20.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.397 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 658' ' ' TRP . 16.1 mt -91.45 164.22 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.936 0.398 . . . . 0.0 111.43 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.522 ' O ' ' N ' ' A' ' 558' ' ' ILE . 0.8 OUTLIER 175.38 138.16 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.034 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.715 ' HB3' ' HZ2' ' A' ' 665' ' ' LYS . 46.1 t80 -118.05 130.97 56.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.979 0.419 . . . . 0.0 111.223 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.28 82.55 2.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.0 OUTLIER -50.38 -33.2 19.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.311 0.577 . . . . 0.0 109.843 179.644 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.442 ' NE2' ' H ' ' A' ' 553' ' ' GLN . 1.8 mp0 -56.38 -48.15 77.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.687 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 612' ' ' PHE . 21.4 mt-30 -83.49 -16.25 46.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.933 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.57 40.36 54.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.446 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.68 166.8 32.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.61 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.538 ' HA ' ' CD1' ' A' ' 550' ' ' TYR . 12.5 tp -92.77 159.27 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.638 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.856 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -128.01 123.77 61.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.002 0.429 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.797 HG11 HD22 ' A' ' 582' ' ' LEU . 4.9 t -112.85 119.41 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.551 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -109.87 122.24 6.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.597 -179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.024 HD11 HD21 ' A' ' 582' ' ' LEU . 33.4 mm -102.57 97.71 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.949 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.8 mp -73.81 -75.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.494 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.4 OUTLIER -159.55 172.41 17.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.284 0.564 . . . . 0.0 111.92 -179.088 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.913 ' SG ' HD11 ' A' ' 567' ' ' LEU . 2.3 p -128.69 159.64 34.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.042 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 34.1 m -142.17 145.53 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.518 . . . . 0.0 112.348 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 57.68 56.34 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.318 179.541 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.935 ' O ' HD13 ' A' ' 603' ' ' LEU . 47.1 mt -88.93 151.13 22.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.008 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -69.38 155.11 40.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.973 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -109.41 118.2 36.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.055 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.495 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -85.9 -21.07 28.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.94 162.92 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -77.2 -5.21 48.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -11.09 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.746 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.81 6.44 59.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.569 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -120.93 -168.7 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.785 0.326 . . . . 0.0 111.747 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.525 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.5 OUTLIER -158.2 175.94 13.12 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 121.063 0.458 . . . . 0.0 111.639 -179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.483 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 6.2 m-20 -119.98 58.07 5.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.649 ' HB3' HD12 ' A' ' 641' ' ' ILE . 37.4 Cg_endo -67.27 146.05 74.27 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 123.489 2.793 . . . . 0.0 115.473 -177.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.566 ' CE2' ' HD2' ' A' ' 581' ' ' LYS . 16.1 p90 -145.4 159.93 42.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 113.804 -1.544 . . . . 0.0 107.756 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.577 ' O ' HG23 ' A' ' 596' ' ' THR . 25.6 t -109.3 133.1 55.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 C-N-CA 119.871 -0.731 . . . . 0.0 111.958 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.566 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -118.23 130.74 56.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.171 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.024 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -120.68 142.07 49.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.537 -178.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.56 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.7 t90 -148.69 113.49 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.186 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 623' ' ' LYS . 12.0 tp -90.59 137.44 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.791 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.557 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -143.39 165.89 22.93 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.794 -179.471 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.547 ' HA ' ' HB2' ' A' ' 585' ' ' LYS . 38.4 Cg_exo -60.98 -13.38 2.83 Favored 'Cis proline' 0 C--N 1.35 0.649 0 C-N-CA 123.821 -1.325 . . . . 0.0 112.343 0.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.557 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 0.1 OUTLIER 54.59 -160.9 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.723 179.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . 0.447 ' HE3' ' HA ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -110.11 -4.43 15.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.857 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -166.39 -176.49 37.61 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.465 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -95.62 -14.06 23.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -84.54 11.93 7.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.524 ' CB ' ' OD2' ' A' ' 587' ' ' ASP . . . -66.17 -8.24 22.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.382 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 24.3 mttt -70.41 158.15 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.615 ' HB2' HD12 ' A' ' 582' ' ' LEU . 16.3 m-70 -143.24 173.31 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.478 ' HG3' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -155.99 114.64 3.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.22 179.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.1 p -73.16 164.84 26.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 111.246 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.529 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 7.3 pt20 -43.93 139.6 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.616 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.569 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -80.87 122.95 36.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.714 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -100.82 80.31 2.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.272 0.558 . . . . 0.0 109.939 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.621 ' HE2' HD12 ' A' ' 634' ' ' ILE . 13.6 mmtm -50.62 152.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.123 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.434 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.8 mmmt 32.04 77.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.357 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.777 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.5 t -178.99 141.8 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.934 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.935 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.2 mt -116.82 -11.98 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.984 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.526 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 21.1 m-80 -129.71 49.33 4.56 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.48 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.777 ' HB3' HG21 ' A' ' 602' ' ' THR . 98.2 Cg_endo -79.48 -178.7 4.78 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 123.013 2.475 . . . . 0.0 113.11 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.494 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.4 tm-20 -132.62 117.02 17.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.322 179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.554 ' CE2' HG23 ' A' ' 580' ' ' VAL . 55.4 m-85 -85.2 -57.63 3.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.309 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 561' ' ' ILE . 16.9 t-20 53.2 49.46 19.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.977 0.418 . . . . 0.0 110.073 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.443 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 6.6 mm-40 -108.11 132.64 53.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.251 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -106.45 112.78 25.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.565 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.565 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 41.3 m-85 -93.33 172.75 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.856 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.0 t80 -144.55 123.59 12.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.294 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.582 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 8.3 m-85 -105.73 155.68 19.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.794 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.76 63.49 0.63 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.953 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.862 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -127.47 138.76 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.671 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -71.21 131.88 44.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.244 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.624 ' CD2' ' HE2' ' A' ' 665' ' ' LYS . 57.1 t-80 -43.81 -46.01 7.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.195 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.63 -25.17 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.862 ' CB ' HD11 ' A' ' 615' ' ' ILE . 1.2 m-20 -100.57 -29.37 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.634 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.88 -68.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.812 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.831 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.78 -53.88 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.075 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -23.0 67.16 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 111.496 -179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.765 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.3 mmpt? -62.37 167.39 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.44 102.23 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.39 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.492 HD21 ' CG1' ' A' ' 559' ' ' VAL . 48.8 tp -79.85 122.75 27.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.136 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -106.85 97.85 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.685 ' CD1' HD12 ' A' ' 646' ' ' LEU . 3.1 mp -91.13 103.02 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.543 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.493 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 31.0 m -118.29 133.23 56.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.113 0.482 . . . . 0.0 111.804 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.634 ' CG2' HD21 ' A' ' 675' ' ' LEU . 6.9 t -101.11 126.38 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.088 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.659 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 37.4 m95 -124.52 148.21 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 111.565 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.614 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -85.69 116.96 24.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.207 179.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.731 ' HE1' HG23 ' A' ' 634' ' ' ILE . 50.7 t80 -66.69 167.78 10.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.502 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.624 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 3.2 m-20 -159.04 123.13 3.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.602 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.731 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.17 128.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.21 -6.04 57.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.586 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -137.51 -173.76 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -82.8 159.59 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.458 ' O ' ' OD1' ' A' ' 639' ' ' ASP . 19.0 m120 -78.71 -177.38 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.49 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 40.4 m-20 -139.81 150.37 44.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.659 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -89.81 114.15 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.062 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' A' ' 578' ' ' PRO . 11.3 mt -90.8 -39.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.867 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.663 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.82 160.1 9.32 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.331 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -160.2 -169.25 23.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.825 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.96 148.08 16.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.823 0.345 . . . . 0.0 110.586 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 56.2 mt-30 -96.03 147.3 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.888 HD11 ' NE2' ' A' ' 673' ' ' HIS . 22.0 mt -135.33 88.9 2.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -133.45 145.07 17.14 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 111.444 -0.662 . . . . 0.0 111.444 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.882 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -60.13 -13.14 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-N 116.983 0.391 . . . . 0.0 111.573 -179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -86.38 13.27 8.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.014 0.435 . . . . 0.0 110.15 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 651' ' ' LYS . . . -93.88 173.22 7.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.319 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 650' ' ' ALA . 1.3 mttt -148.1 132.07 17.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.695 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . 0.473 ' O ' ' HE2' ' A' ' 656' ' ' LYS . . . 122.8 -58.16 0.62 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.71 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -158.84 -48.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 111.031 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.509 ' HB3' HD23 ' A' ' 646' ' ' LEU . 2.7 mtt-85 -41.88 -28.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 648' ' ' ILE . 18.4 tp -80.34 -48.81 12.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.473 ' HE2' ' O ' ' A' ' 652' ' ' GLY . 13.2 mttm -50.22 -45.08 53.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.036 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.528 ' ND1' ' HB2' ' A' ' 671' ' ' ARG . 19.9 t-160 -74.68 -67.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.975 0.417 . . . . 0.0 110.617 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 42.6 t-105 -43.31 -76.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.766 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.882 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -40.04 -54.24 2.27 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.474 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.777 ' HB3' HD12 ' A' ' 669' ' ' ILE . 7.3 mm-40 -37.41 -46.13 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.294 0.568 . . . . 0.0 110.525 -179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.521 ' O ' ' NZ ' ' A' ' 665' ' ' LYS . 34.6 t -50.2 -40.45 47.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.307 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.831 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -64.96 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.969 179.598 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.477 ' HD2' ' OE2' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -78.32 -39.19 40.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.416 ' ND2' ' CG ' ' A' ' 663' ' ' LYS . 65.6 m-80 -116.86 102.61 9.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.288 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.715 ' HZ2' ' HB3' ' A' ' 550' ' ' TYR . 0.0 OUTLIER -89.01 -72.83 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.588 -179.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -39.36 -28.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.4 mtmt -105.1 146.55 28.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -98.34 162.93 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 0.0 111.37 -179.563 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.777 HD12 ' HB3' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -123.39 114.55 42.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.202 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.491 ' HG3' ' HB3' ' A' ' 547' ' ' SER . 0.0 OUTLIER -103.94 131.23 51.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.935 0.398 . . . . 0.0 111.167 -179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.528 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 2.2 mmt-85 -154.09 162.8 40.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.502 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.994 ' NE1' HD13 ' A' ' 545' ' ' LEU . 78.8 m95 -103.75 132.6 49.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.725 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.888 ' NE2' HD11 ' A' ' 646' ' ' LEU . 69.5 m-70 -114.21 129.77 56.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.45 ' O ' ' HG2' ' A' ' 676' ' ' GLN . 4.1 mt-30 -78.21 102.02 7.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.663 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.1 mt -44.51 129.28 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.344 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 674' ' ' GLN . 8.6 mm100 -120.07 166.57 13.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.629 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -108.75 118.56 37.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . 0.576 ' CG ' ' N ' ' A' ' 679' ' ' ASN . 2.8 pt-20 -78.94 -55.21 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . 0.576 ' N ' ' CG ' ' A' ' 678' ' ' GLU . 1.5 t-20 -92.67 144.67 25.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.987 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.905 179.86 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.474 ' HD3' ' OD1' ' A' ' 677' ' ' ASN . 21.9 mtm180 . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.567 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . -118.42 -166.53 13.7 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.709 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 7.6 mtmt -130.53 137.75 49.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -114.02 126.84 71.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.216 0.531 . . . . 0.0 111.409 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.907 HD13 ' CE2' ' A' ' 672' ' ' TRP . 14.0 tp -79.28 116.58 19.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.759 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 627' ' ' ILE . 42.7 t -119.49 135.97 58.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.522 ' HA ' ' HA ' ' A' ' 670' ' ' GLU . 30.3 t -115.71 144.13 44.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.672 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.533 ' CD1' ' HA ' ' A' ' 658' ' ' TRP . 15.4 mt -117.35 162.08 18.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.952 0.406 . . . . 0.0 111.174 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.535 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 0.9 OUTLIER 176.45 114.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.324 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.493 ' HB3' ' HG3' ' A' ' 665' ' ' LYS . 47.1 t80 -95.51 132.52 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 111.151 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.81 79.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . . . . . . . . . 1.3 p -45.69 -41.25 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.291 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -47.01 60.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.201 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -83.24 -19.03 37.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.5 38.75 32.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.454 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.43 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.96 170.45 34.29 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.633 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.532 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 7.0 tp -94.57 155.12 17.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 0.0 110.627 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.845 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.6 mm -123.77 119.56 57.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.889 0.376 . . . . 0.0 110.714 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.649 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.8 t -106.33 121.05 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.687 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.39 111.42 3.06 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.325 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.002 HD11 ' CD2' ' A' ' 582' ' ' LEU . 49.3 mm -88.67 102.62 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.622 HD13 ' CD2' ' A' ' 545' ' ' LEU . 1.6 mt -78.94 -76.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 606' ' ' GLU . 1.9 ptm180 -158.35 173.5 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.04 0.448 . . . . 0.0 111.76 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 1.6 p -130.44 159.9 35.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.042 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.06 150.97 13.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.404 0.621 . . . . 0.0 112.534 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.527 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.2 OUTLIER 62.28 42.93 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.091 -0.958 . . . . 0.0 111.509 179.135 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.761 ' O ' HD13 ' A' ' 603' ' ' LEU . 33.1 mt -83.72 155.1 23.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.868 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.557 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -75.54 166.39 23.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.529 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.508 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -108.27 120.8 43.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.712 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.544 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -90.88 -17.74 25.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.199 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -103.65 164.12 11.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.023 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -72.18 -3.63 24.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.193 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.84 -11.06 58.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.79 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.508 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 91.73 11.56 60.36 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.294 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.705 ' HA ' HD21 ' A' ' 603' ' ' LEU . 2.9 m-85 -125.19 -169.21 1.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.883 0.373 . . . . 0.0 111.814 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' ' 569' ' ' ALA . 17.2 m -153.99 177.75 10.7 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.23 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.48 ' N ' ' CD ' ' A' ' 578' ' ' PRO . 2.1 m-20 -127.94 55.29 15.83 Favored Pre-proline 0 C--N 1.331 -0.212 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.525 ' HB3' ' CD1' ' A' ' 641' ' ' ILE . 38.9 Cg_endo -68.17 143.47 59.36 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.569 2.846 . . . . 0.0 115.406 -177.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 22.4 p90 -138.6 161.68 36.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 113.974 -1.466 . . . . 0.0 107.425 177.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 629' ' ' VAL . 48.8 t -111.76 132.72 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 119.764 -0.775 . . . . 0.0 112.785 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 9.5 mttm -117.14 131.61 56.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.562 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.002 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.12 143.98 47.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.034 0.445 . . . . 0.0 111.748 -178.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.578 ' CE3' ' HE3' ' A' ' 585' ' ' LYS . 4.3 t90 -151.65 114.63 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.176 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.592 ' CB ' ' CE2' ' A' ' 613' ' ' TYR . 14.7 tp -90.03 111.39 22.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.223 179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.578 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 0.6 OUTLIER -100.36 179.98 0.93 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.56 -179.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.581 ' O ' ' CB ' ' A' ' 587' ' ' ASP . 10.0 Cg_endo -53.02 -51.75 0.14 OUTLIER 'Cis proline' 0 C--N 1.347 0.492 0 C-N-CA 123.483 -1.465 . . . . 0.0 112.302 -0.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.581 ' CB ' ' O ' ' A' ' 586' ' ' PRO . 1.4 t70 149.54 137.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.054 179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . 0.432 ' SD ' ' O ' ' A' ' 614' ' ' ASP . 3.4 ptp -112.71 -26.11 8.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.199 179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.463 ' O ' ' OD2' ' A' ' 587' ' ' ASP . . . -138.44 -134.45 3.2 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.046 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -135.35 6.95 3.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 0.0 110.546 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -114.1 9.92 17.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.739 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -58.12 -24.73 59.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.467 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 2.5 mttt -77.89 165.56 23.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 8.8 m-70 -160.3 172.08 17.99 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.12 0.486 . . . . 0.0 111.703 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.25 120.57 2.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.057 179.464 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.686 HG21 HG21 ' A' ' 561' ' ' ILE . 5.7 p -78.54 172.49 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.064 0.459 . . . . 0.0 111.263 -179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -51.17 151.9 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.384 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.55 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.6 mm -83.73 129.38 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.397 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.646 ' O ' HG22 ' A' ' 602' ' ' THR . 3.3 mmpt? -98.88 74.85 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.08 0.467 . . . . 0.0 110.143 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.58 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 18.5 mmtm -51.65 140.63 18.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.285 -178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.513 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.0 OUTLIER 34.27 82.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.823 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.861 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.1 t 178.09 139.15 0.08 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.9 mt -109.52 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.053 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.408 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -136.56 54.03 8.48 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.861 ' HB3' HG21 ' A' ' 602' ' ' THR . 87.6 Cg_endo -79.16 -170.46 1.01 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.813 2.342 . . . . 0.0 113.145 -179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 563' ' ' ARG . 1.2 tt0 -134.0 122.37 22.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.348 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.611 ' CE2' HG23 ' A' ' 580' ' ' VAL . 63.4 m-85 -88.84 -59.14 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.267 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.7 t-20 54.98 49.2 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.031 0.443 . . . . 0.0 110.362 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.445 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.0 OUTLIER -109.13 136.62 48.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.263 -179.484 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -109.1 111.92 23.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.71 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 35.9 m-85 -95.84 174.03 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.126 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.845 ' HD1' HD13 ' A' ' 558' ' ' ILE . 6.1 t80 -146.55 127.33 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.528 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.649 ' CE1' HG21 ' A' ' 559' ' ' VAL . 8.7 m-85 -107.81 156.55 19.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.432 ' O ' ' SD ' ' A' ' 588' ' ' MET . 0.9 OUTLIER -112.38 60.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.894 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -124.41 145.5 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.66 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.446 ' N ' HG13 ' A' ' 615' ' ' ILE . 5.1 mmtt -75.67 130.94 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.53 ' NE2' ' HD2' ' A' ' 665' ' ' LYS . 47.9 t-80 -43.57 -45.92 6.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.99 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -20.12 56.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.109 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.894 ' CB ' HD11 ' A' ' 615' ' ' ILE . 32.0 m-20 -99.57 -28.56 13.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.668 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.609 HD23 HG12 ' A' ' 615' ' ' ILE . 0.2 OUTLIER -34.52 -66.65 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.726 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.756 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -40.8 -48.04 2.98 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.641 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.61 63.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.098 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.775 ' HE3' HD13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -73.0 -176.48 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 25.4 p -159.83 104.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.048 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 21.3 tp -79.44 149.53 31.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.95 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 2.5 t70 -132.56 96.77 3.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.614 HG21 HG21 ' A' ' 546' ' ' VAL . 2.7 mp -92.19 98.54 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.525 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 28.6 m -113.76 129.94 56.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.638 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.615 HG22 HG22 ' A' ' 580' ' ' VAL . 14.6 t -98.88 120.86 48.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.289 179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 39.6 m95 -118.07 149.03 41.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.07 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.876 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.4 OUTLIER -87.55 138.01 31.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.321 179.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 23.0 t80 -90.44 164.44 14.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.201 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -157.96 131.79 7.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.739 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.532 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -86.06 124.9 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.046 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.44 -9.35 67.84 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -129.31 -169.08 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 638' ' ' ASN . 15.6 p -97.8 144.02 27.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 637' ' ' SER . 0.2 OUTLIER -52.69 -172.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 630' ' ' TRP . 1.7 m-20 -149.95 156.68 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.69 118.35 31.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.876 HD11 ' HB2' ' A' ' 631' ' ' ASP . 76.4 mt -97.49 -44.95 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.948 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.639 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 160.82 159.29 9.84 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.43 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -166.89 -163.05 19.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.787 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -162.16 166.21 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.307 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -112.92 134.67 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.855 HD11 ' NE2' ' A' ' 673' ' ' HIS . 8.5 mt -117.81 98.7 6.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.314 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.51 144.51 14.53 Favored Glycine 0 N--CA 1.45 -0.39 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.534 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.922 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -58.54 -13.77 3.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 120.87 0.367 . . . . 0.0 111.642 -179.194 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.9 t -85.48 12.12 9.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.151 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.488 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -91.01 178.14 6.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.167 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 0.0 OUTLIER -154.55 132.17 11.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.67 179.648 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' ' 653' ' ' GLU . . . 127.89 -68.85 0.53 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.812 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 652' ' ' GLY . 19.5 mt-10 -150.66 -37.98 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.546 0.212 . . . . 0.0 111.567 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.524 ' HB3' HD23 ' A' ' 646' ' ' LEU . 3.6 mtm180 -53.71 -42.83 68.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.722 0.296 . . . . 0.0 111.11 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.821 HD12 ' HA ' ' A' ' 648' ' ' ILE . 30.4 tp -56.58 -45.14 81.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.935 0.397 . . . . 0.0 110.49 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 65.0 mttm -58.01 -42.67 85.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.721 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.527 ' ND1' ' HG2' ' A' ' 671' ' ' ARG . 9.0 t-160 -72.06 -65.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.944 0.402 . . . . 0.0 110.487 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 49.0 t-105 -48.59 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.922 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.4 OUTLIER -33.68 -53.76 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.376 179.493 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.917 ' HB3' HD12 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -38.09 -47.95 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.074 0.464 . . . . 0.0 110.444 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 22.8 t -45.84 -39.36 8.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.152 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.756 HD21 ' H ' ' A' ' 621' ' ' ALA . 2.1 mp -68.12 -28.41 67.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.641 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 660' ' ' GLU . 1.9 mtpt -86.9 -44.49 11.62 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.469 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.9 m-20 -108.07 56.22 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.633 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.53 ' HD2' ' NE2' ' A' ' 617' ' ' HIS . 2.2 mppt? -42.77 -89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.94 -27.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.549 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 549' ' ' MET . 7.6 mmtp -80.01 161.01 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 110.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.1 OUTLIER -101.54 142.0 33.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.586 -179.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.917 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.2 mm -124.53 93.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.191 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 17.1 pm0 -108.71 141.9 40.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.127 0.489 . . . . 0.0 111.563 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.579 ' HD2' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -166.18 162.23 17.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.675 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.907 ' CE2' HD13 ' A' ' 545' ' ' LEU . 95.5 m95 -90.91 130.56 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.002 0.43 . . . . 0.0 111.657 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.855 ' NE2' HD11 ' A' ' 646' ' ' LEU . 52.9 m-70 -111.68 131.42 55.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.651 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -77.59 113.17 15.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.587 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.639 HD22 ' O ' ' A' ' 642' ' ' GLY . 82.1 mt -53.65 129.26 32.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.508 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 643' ' ' GLY . 0.9 OUTLIER -123.04 163.32 20.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.539 179.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . 0.474 ' OD1' ' HD3' ' A' ' 541' ' ' ARG . 2.3 m120 -95.39 123.54 38.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.77 -45.49 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.547 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -115.45 -87.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.479 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.676 0.274 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.517 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 117.68 166.56 13.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.688 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.35 131.0 53.5 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -109.39 129.33 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 111.454 -179.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.825 HD13 ' CE2' ' A' ' 672' ' ' TRP . 16.7 tp -79.92 115.29 19.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.574 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.642 HG21 HG21 ' A' ' 627' ' ' ILE . 37.5 t -117.88 135.3 58.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.0 OUTLIER -111.04 142.45 43.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.7 mt -120.12 156.67 30.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.429 . . . . 0.0 111.213 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 558' ' ' ILE . 4.8 tmm? 177.6 127.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.133 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.584 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.2 t80 -106.56 132.72 52.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.044 0.45 . . . . 0.0 111.302 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.66 79.8 1.71 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.827 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.446 ' CG2' ' HG3' ' A' ' 665' ' ' LYS . 1.3 p -45.76 -41.2 10.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.004 0.43 . . . . 0.0 110.188 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.39 -45.9 55.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.224 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -85.75 -19.22 31.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.713 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.18 38.97 33.16 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.497 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.96 167.66 32.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.571 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.6 tp -94.94 157.38 15.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.757 0.313 . . . . 0.0 110.702 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.87 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.1 mm -125.35 120.0 56.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.025 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.799 HG11 HD22 ' A' ' 582' ' ' LEU . 2.2 t -106.87 120.48 58.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -106.59 108.51 2.91 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.416 -0.897 . . . . 0.0 113.601 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 0.925 HD11 ' CD2' ' A' ' 582' ' ' LEU . 28.2 mm -86.88 96.66 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.697 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mt -75.72 -77.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -157.73 170.18 22.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 111.773 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.0 OUTLIER -126.17 160.47 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.333 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.0 m -142.98 146.13 22.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 112.173 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.517 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 54.12 58.52 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.386 179.441 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.994 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.2 mt -90.5 152.21 21.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.98 152.38 45.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.495 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -107.43 118.26 36.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.503 ' N ' ' OG ' ' A' ' 576' ' ' SER . 10.1 mmt -87.9 -21.81 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -86.73 165.36 16.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.04 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -10.81 58.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.785 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 94.64 8.36 59.59 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.499 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.7 m-85 -120.37 -168.29 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 111.557 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.669 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.5 OUTLIER -160.79 170.28 21.04 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.067 0.461 . . . . 0.0 111.583 -179.566 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.534 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 5.2 m-20 -117.07 59.73 2.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.707 ' HB3' HD12 ' A' ' 641' ' ' ILE . 36.5 Cg_endo -67.28 145.5 72.32 Favored 'Trans proline' 0 C--O 1.23 0.123 0 C-N-CA 123.359 2.706 . . . . 0.0 115.28 -177.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.6 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 13.4 p90 -141.83 161.37 38.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 113.965 -1.47 . . . . 0.0 107.722 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.542 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 24.3 t -113.42 132.71 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 119.915 -0.714 . . . . 0.0 112.39 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.493 ' HG2' ' HB2' ' A' ' 595' ' ' LYS . 0.8 OUTLIER -115.34 134.6 54.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.711 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.925 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.2 OUTLIER -122.62 137.99 54.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.939 0.4 . . . . 0.0 111.559 -179.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.583 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.0 t90 -145.96 117.69 8.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.966 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 623' ' ' LYS . 15.4 tp -94.72 113.45 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.717 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.522 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -99.04 166.44 13.03 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.942 -179.768 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.548 ' HD2' ' NZ ' ' A' ' 623' ' ' LYS . 6.1 Cg_exo -79.35 107.93 1.13 Allowed 'Cis proline' 0 N--CA 1.458 -0.572 0 C-N-CA 123.602 -1.416 . . . . 0.0 111.825 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 586' ' ' PRO . 7.3 p-10 -6.59 105.45 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.921 -1.036 . . . . 0.0 112.526 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -34.13 30.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.752 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -128.93 -4.88 5.02 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.616 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.3 OUTLIER 87.7 -31.12 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.766 0.317 . . . . 0.0 111.055 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -83.98 10.27 10.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.714 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.425 ' HB3' ' CD1' ' A' ' 583' ' ' TRP . . . -55.1 -23.65 21.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.083 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.583 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 22.4 mmtp -61.83 150.02 38.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.722 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 4.7 m-70 -147.6 172.73 13.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.394 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.493 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.1 OUTLIER -159.67 132.87 6.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.246 179.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.861 HG21 HG21 ' A' ' 561' ' ' ILE . 33.9 p -89.72 167.37 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.979 0.418 . . . . 0.0 110.98 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -51.81 139.19 22.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.368 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.742 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.9 mm -77.96 119.97 27.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.608 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.628 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -99.66 83.9 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.466 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.599 ' HE2' HD12 ' A' ' 634' ' ' ILE . 1.3 mmtm -63.64 152.34 39.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.098 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 602' ' ' THR . 1.7 mmtm 44.65 66.44 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.886 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.785 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.3 t -178.16 144.13 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 111.131 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.994 HD13 ' O ' ' A' ' 567' ' ' LEU . 10.4 mt -118.65 -11.53 9.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.542 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 1.1 m-80 -129.99 47.25 2.71 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.456 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.785 ' HB3' HG21 ' A' ' 602' ' ' THR . 72.6 Cg_endo -76.23 -175.78 2.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.961 2.441 . . . . 0.0 113.002 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.491 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.6 tt0 -132.41 116.95 17.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.581 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.542 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 64.3 m-85 -82.59 -56.84 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.29 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 52.15 47.45 24.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.188 -179.486 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 561' ' ' ILE . 0.8 OUTLIER -108.91 130.09 55.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.352 -179.401 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.51 108.41 19.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.502 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.538 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 19.3 m-85 -90.32 174.06 7.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.935 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.87 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.9 t80 -146.87 128.15 14.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.497 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.606 ' HE1' HG21 ' A' ' 559' ' ' VAL . 8.9 m-85 -107.65 153.9 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.002 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -108.54 62.5 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.111 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.893 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -128.32 145.56 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.653 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.438 ' N ' HG13 ' A' ' 615' ' ' ILE . 2.6 mptt -76.9 131.64 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.681 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.584 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 51.8 t-80 -41.67 -51.23 4.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -17.27 3.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.37 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.893 ' CB ' HD11 ' A' ' 615' ' ' ILE . 84.0 m-20 -105.16 -29.13 10.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.589 HD23 HG12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.66 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.552 179.566 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.873 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -33.83 -53.68 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.103 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -65.01 -26.35 68.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.77 0.319 . . . . 0.0 111.464 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.788 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -56.7 -176.03 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.1 0.476 . . . . 0.0 111.145 -179.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 29.5 p -159.19 103.69 1.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.289 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 627' ' ' ILE . 29.0 tp -79.69 147.81 31.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.918 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 12.6 t0 -130.78 93.24 3.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 546' ' ' VAL . 2.2 mp -88.66 102.72 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.499 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 50.4 p -117.85 131.22 56.58 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.057 0.456 . . . . 0.0 111.777 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.529 HG22 HG22 ' A' ' 580' ' ' VAL . 10.9 t -102.13 122.17 54.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.238 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.66 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 42.8 m95 -121.64 150.55 41.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 111.417 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.479 ' CG ' ' CG ' ' A' ' 570' ' ' MET . 0.0 OUTLIER -83.85 128.15 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.852 179.225 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.742 ' CG ' HG21 ' A' ' 598' ' ' ILE . 30.4 t80 -90.73 159.72 16.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.298 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.544 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.3 OUTLIER -160.22 127.85 4.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.599 HD12 ' HE2' ' A' ' 600' ' ' LYS . 0.0 OUTLIER -79.64 136.29 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 84.02 -17.41 27.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.95 -173.21 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 60.7 p -79.84 -162.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.89 172.54 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.014 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.47 ' HB2' ' HB3' ' A' ' 631' ' ' ASP . 0.9 OUTLIER -130.96 154.39 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.712 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.66 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -94.46 114.45 26.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' A' ' 578' ' ' PRO . 26.8 mt -92.36 -38.15 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.493 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.29 160.85 9.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -163.94 -161.5 13.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.682 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.76 159.59 18.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.827 0.346 . . . . 0.0 111.072 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -107.8 134.89 50.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.724 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.533 HD11 ' HE2' ' A' ' 673' ' ' HIS . 8.9 mt -123.51 104.54 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.354 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -146.12 146.23 16.08 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.464 -0.654 . . . . 0.0 111.464 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.898 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.4 tt -62.9 -10.32 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.003 0.43 . . . . 0.0 111.238 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 1.8 t -88.3 13.55 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 651' ' ' LYS . . . -95.04 177.58 5.83 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.248 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 650' ' ' ALA . 13.9 mtmt -160.06 131.06 5.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.41 -51.3 0.86 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.669 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 656' ' ' LYS . 3.8 tt0 -167.35 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.618 0.247 . . . . 0.0 111.591 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.491 ' HB3' HD23 ' A' ' 646' ' ' LEU . 4.1 mtm180 -55.82 -45.59 78.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.226 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 648' ' ' ILE . 15.7 tp -55.0 -38.0 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.986 0.422 . . . . 0.0 110.647 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.526 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 0.1 OUTLIER -59.51 -52.65 64.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.849 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.478 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 21.1 t-160 -66.82 -52.38 44.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.939 0.4 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 60.6 t-105 -61.94 -61.97 2.11 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.885 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.668 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -59.6 -62.1 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.264 -178.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.567 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.5 pt-20 -42.78 -33.34 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 1.6 t -62.87 -41.58 99.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.873 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -54.64 -37.79 66.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 1.2 pttt -72.0 -41.05 68.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.49 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 33.8 m-20 -103.68 87.88 2.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.377 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.52 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.1 OUTLIER -79.14 -70.73 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.692 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -54.7 -17.76 3.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.4 mtmm -94.57 135.92 35.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER -79.9 153.37 29.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.162 0.506 . . . . 0.0 111.473 -179.512 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -135.78 143.65 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.271 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 3.3 pm0 -150.5 148.55 28.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 111.555 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.484 ' HG3' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -173.88 149.22 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.842 179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.825 ' CE2' HD13 ' A' ' 545' ' ' LEU . 91.4 m95 -79.18 129.13 34.14 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 121.287 0.565 . . . . 0.0 111.659 -178.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.623 ' CE1' ' HB ' ' A' ' 546' ' ' VAL . 0.1 OUTLIER -105.75 129.57 53.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.312 -179.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.41 114.03 15.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.55 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' ' 642' ' ' GLY . 94.7 mt -58.85 128.84 39.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.467 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.478 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 3.1 mm-40 -117.22 174.19 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.427 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.65 102.21 10.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . 0.427 ' OE1' ' OH ' ' A' ' 640' ' ' TYR . 0.8 OUTLIER -61.05 -82.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.035 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -160.23 111.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.852 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.788 0.328 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.522 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . -96.14 -156.76 31.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.658 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -126.08 138.8 53.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.534 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.0 OUTLIER -118.23 127.46 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.227 0.537 . . . . 0.0 111.991 -179.553 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.942 ' HG ' HD13 ' A' ' 562' ' ' ILE . 18.7 tp -79.71 113.68 18.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.339 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.618 HG21 HG21 ' A' ' 627' ' ' ILE . 78.7 t -112.12 135.53 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.255 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.1 OUTLIER -110.17 139.61 45.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.219 179.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 669' ' ' ILE . 16.6 mt -122.49 148.56 45.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 111.267 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.534 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 5.0 tmm? -173.91 118.92 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.57 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 51.4 t80 -97.08 131.04 44.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.982 0.42 . . . . 0.0 111.133 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . 0.478 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -100.7 78.63 1.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.931 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 552' ' ' THR . 1.3 p -46.31 -41.86 13.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 110.292 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -45.88 52.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.32 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -86.2 -16.87 36.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.613 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 75.35 39.3 36.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.42 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.3 169.3 33.24 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.634 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.521 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.9 tp -94.6 157.44 15.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.723 0.297 . . . . 0.0 110.68 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.831 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.4 mm -127.57 117.59 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.67 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.863 HG11 HD22 ' A' ' 582' ' ' LEU . 2.0 t -104.13 116.81 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 547' ' ' SER . . . -105.88 105.82 2.5 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.531 -0.842 . . . . 0.0 113.403 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.063 HD11 HD21 ' A' ' 582' ' ' LEU . 8.3 mm -85.24 106.19 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.942 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -80.97 -77.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.501 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -156.64 171.24 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.028 0.442 . . . . 0.0 111.71 -179.195 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 544' ' ' ILE . 7.4 p -130.23 158.36 39.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.23 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.95 154.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.287 0.565 . . . . 0.0 112.387 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 61.69 41.01 12.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.358 179.346 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.666 ' O ' HD13 ' A' ' 603' ' ' LEU . 13.6 mt -80.85 155.59 26.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.978 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.438 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -82.84 165.51 19.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.361 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.598 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -128.42 109.8 11.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.643 ' HE1' HG12 ' A' ' 641' ' ' ILE . 3.0 mtm -85.64 -25.75 26.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.394 . . . . 0.0 110.811 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.13 151.75 47.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.626 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.49 -5.54 24.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.113 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -84.0 -10.92 57.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.819 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 93.59 4.18 64.07 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.353 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.598 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -124.72 -169.63 2.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.97 0.414 . . . . 0.0 111.992 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.488 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.6 OUTLIER -152.45 178.32 9.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.179 -179.686 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 11.4 m-20 -124.96 58.46 18.6 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.808 ' HB3' HD12 ' A' ' 641' ' ' ILE . 34.3 Cg_endo -66.53 144.26 72.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 123.399 2.732 . . . . 0.0 115.289 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 630' ' ' TRP . 17.0 p90 -144.35 160.27 41.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 113.979 -1.464 . . . . 0.0 107.727 177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.676 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 21.2 t -110.22 128.9 66.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.194 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.572 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.1 OUTLIER -113.14 130.85 56.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.951 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.063 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -119.91 133.7 55.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 -179.041 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.552 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.6 t90 -140.68 115.81 9.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.008 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.616 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.2 tp -87.33 105.35 17.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.634 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.436 ' HA ' ' C ' ' A' ' 586' ' ' PRO . 5.7 mtmt -85.33 145.48 42.68 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.963 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 4.4 Cg_exo -75.58 -177.46 20.79 Favored 'Cis proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.639 -1.817 . . . . 0.0 111.809 -0.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.2 104.36 11.62 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.672 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . 0.524 ' HE1' ' HB ' ' A' ' 615' ' ' ILE . 51.7 mtm -79.72 -59.15 2.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.347 -179.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -112.3 2.78 26.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.845 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 1.7 tppt? 87.68 -31.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.783 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -78.13 -0.49 28.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.756 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -46.27 -30.66 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.548 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 17.3 mttt -77.56 163.18 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 10.7 m-70 -160.07 173.39 15.89 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.97 0.414 . . . . 0.0 111.715 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.487 ' HG3' ' HE2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.36 114.7 2.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.77 179.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.618 HG22 ' CE1' ' A' ' 611' ' ' PHE . 5.2 p -73.87 176.11 6.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.018 0.437 . . . . 0.0 111.384 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -50.05 138.99 14.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.349 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.553 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.8 119.73 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.581 ' O ' HG22 ' A' ' 602' ' ' THR . 11.7 mmpt? -90.78 72.94 6.64 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.597 ' HE2' ' CE1' ' A' ' 632' ' ' TYR . 2.5 mmtp -64.23 142.97 58.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.609 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 49.33 65.78 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.698 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.817 HG21 ' HB3' ' A' ' 605' ' ' PRO . 4.3 t -179.96 147.01 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.97 0.414 . . . . 0.0 110.834 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.9 mt -119.07 -12.81 9.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.501 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 12.3 m-80 -130.89 49.73 5.14 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.532 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.817 ' HB3' HG21 ' A' ' 602' ' ' THR . 96.9 Cg_endo -78.53 -173.32 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.071 2.514 . . . . 0.0 113.471 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 14.8 tt0 -132.76 124.97 29.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.346 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.826 ' HB2' HG22 ' A' ' 561' ' ' ILE . 64.7 m-85 -89.41 -58.04 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 51.35 48.87 22.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.044 0.449 . . . . 0.0 110.21 -179.45 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.2 mm-40 -108.84 138.2 45.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.052 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 610' ' ' GLU . 16.6 pt-20 -110.35 110.34 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.566 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.618 ' CE1' HG22 ' A' ' 596' ' ' THR . 40.0 m-85 -93.09 171.0 9.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.266 0.555 . . . . 0.0 112.316 -179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.831 ' HD1' HD13 ' A' ' 558' ' ' ILE . 3.6 t80 -143.73 121.93 12.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.413 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.696 ' HE1' HG21 ' A' ' 559' ' ' VAL . 9.6 m-85 -104.7 153.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.728 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.31 62.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.004 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.864 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -127.88 137.7 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.744 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.09 130.27 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.492 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 52.9 t-80 -42.43 -45.18 4.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.937 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.56 -24.1 7.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.864 ' CB ' HD11 ' A' ' 615' ' ' ILE . 59.1 m-20 -104.15 -27.63 11.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.723 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.568 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -37.05 -66.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.303 179.641 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.793 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -36.56 -51.37 0.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.692 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -24.47 66.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.803 0.335 . . . . 0.0 111.443 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.749 ' HD2' HD13 ' A' ' 615' ' ' ILE . 9.1 mmpt? -62.18 170.49 2.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.229 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 84.2 p -142.06 103.24 4.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.344 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.476 ' CD2' HD21 ' A' ' 548' ' ' LEU . 50.6 tp -79.8 116.63 20.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.952 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -106.39 97.81 7.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.618 HG21 HG21 ' A' ' 546' ' ' VAL . 3.4 mp -91.32 100.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 2.2 m -113.36 135.65 53.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.554 -179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.637 ' CG2' HD21 ' A' ' 675' ' ' LEU . 15.9 t -102.42 124.77 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.095 179.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.625 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 54.4 m95 -122.3 146.96 46.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 111.646 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.57 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -86.12 120.35 27.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.38 179.395 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.697 ' HE1' HG23 ' A' ' 634' ' ' ILE . 26.9 t80 -76.09 161.24 29.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.079 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.584 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.12 128.84 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.69 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.697 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.3 140.13 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -15.79 58.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.423 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.92 -162.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.52 173.66 10.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.16 -171.6 3.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.1 m-20 -137.35 156.29 48.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.625 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.08 116.28 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.808 HD12 ' HB3' ' A' ' 578' ' ' PRO . 15.7 mt -95.55 -37.73 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.66 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 149.49 161.0 9.5 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.418 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.71 -169.77 26.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.787 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.48 166.3 32.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.817 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.481 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.9 mt-30 -112.48 143.76 43.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.796 HD11 ' NE2' ' A' ' 673' ' ' HIS . 16.7 mt -134.71 88.86 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.05 142.57 13.93 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.702 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.96 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.6 tt -59.4 -14.06 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 117.041 0.421 . . . . 0.0 111.383 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 30.0 t -80.22 1.85 26.76 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -90.63 176.91 6.5 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.161 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 135.4 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 121.13 -88.15 0.42 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.597 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.32 -43.89 2.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.546 ' HB3' HD23 ' A' ' 646' ' ' LEU . 0.2 OUTLIER -49.62 -40.4 39.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.789 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.96 HD12 ' HA ' ' A' ' 648' ' ' ILE . 12.6 tp -69.96 -48.79 56.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.525 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 9.6 mtmt -45.61 -70.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.139 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.519 ' CD2' ' CG2' ' A' ' 669' ' ' ILE . 16.2 t-160 -52.67 -50.61 62.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.988 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.535 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 63.8 t-105 -61.6 -75.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.049 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.586 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -49.15 -61.77 1.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.813 -179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.558 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.3 pt-20 -41.82 -32.73 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.193 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 23.6 t -62.41 -44.76 95.66 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.793 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.2 OUTLIER -52.44 -28.51 20.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.952 178.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.529 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 12.1 pttt -83.87 -46.57 12.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.877 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.529 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 4.2 m-20 -95.47 38.38 1.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.495 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 550' ' ' TYR . 1.0 OUTLIER -39.35 -71.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.057 -179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 667' ' ' LYS . 3.0 p-10 -48.72 -23.35 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.061 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.3 mtpt -94.86 137.39 33.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.515 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.9 OUTLIER -82.65 144.56 30.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.409 -179.556 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.558 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 1.1 mt -123.34 157.27 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -154.68 135.85 13.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.477 ' HG3' ' HB2' ' A' ' 657' ' ' HIS . 2.6 mmt180 -154.33 166.16 34.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.342 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.835 ' CE2' HD13 ' A' ' 545' ' ' LEU . 83.8 m95 -103.22 131.6 50.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.692 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.796 ' NE2' HD11 ' A' ' 646' ' ' LEU . 75.3 m-70 -117.93 130.07 56.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.086 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 34.1 mt-30 -77.25 108.84 10.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.185 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.2 mt -49.67 128.78 18.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.375 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 48.1 mt-30 -125.19 159.64 31.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.672 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.47 119.68 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -89.91 -72.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -153.63 100.74 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 2.4 p80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.885 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.526 ' CD ' ' O ' ' A' ' 641' ' ' ILE . 4.6 mmt85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.724 0.297 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 108.97 170.19 20.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.97 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -127.95 137.83 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.498 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -114.37 128.29 71.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.021 0.438 . . . . 0.0 111.651 -179.568 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.941 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.4 tp -79.51 123.32 27.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.561 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.31 134.25 66.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.251 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.582 ' HB3' HD11 ' A' ' 562' ' ' ILE . 54.6 p -116.91 111.86 20.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.481 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 55.1 mt -95.41 162.31 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.098 0.475 . . . . 0.0 111.519 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.516 ' SD ' ' CB ' ' A' ' 668' ' ' LYS . 30.3 ttp 175.94 125.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.229 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 59.5 t80 -103.17 130.62 50.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.063 0.458 . . . . 0.0 111.322 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.82 76.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.834 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.488 HG22 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -43.01 -38.3 2.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.4 tp60 -53.78 -54.9 31.68 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.504 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.427 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 19.5 mt-30 -75.62 -15.23 60.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.548 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.83 41.45 62.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.522 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.65 168.3 33.77 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.569 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.53 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 13.2 tp -95.59 157.09 16.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.783 0.325 . . . . 0.0 110.666 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.839 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -125.99 119.38 54.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.019 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.675 HG11 HD22 ' A' ' 582' ' ' LEU . 2.3 t -105.81 118.17 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.558 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.464 ' HA3' ' OG ' ' A' ' 547' ' ' SER . . . -106.7 110.55 3.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.386 -0.911 . . . . 0.0 113.607 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.054 HD11 HD21 ' A' ' 582' ' ' LEU . 26.6 mm -90.36 99.16 9.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.922 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.6 mp -79.39 -73.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.511 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -159.82 170.84 20.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.256 0.55 . . . . 0.0 112.055 -178.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -127.55 161.84 27.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.646 178.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.59 144.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.12 0.486 . . . . 0.0 112.224 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 60.2 t60 55.29 54.71 8.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.352 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.927 ' O ' HD13 ' A' ' 603' ' ' LEU . 22.6 mt -84.05 161.83 20.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.056 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 576' ' ' SER . . . -69.81 149.71 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.953 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.557 ' HB2' HD11 ' A' ' 603' ' ' LEU . . . -112.28 116.25 30.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.341 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 6.4 mmt -79.74 -28.69 40.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.385 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -84.24 164.95 18.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.317 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -79.26 -5.88 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.041 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -82.1 -12.29 58.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.521 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.515 ' O ' HD11 ' A' ' 603' ' ' LEU . . . 94.43 16.15 44.3 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.671 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.632 ' C ' HD21 ' A' ' 603' ' ' LEU . 3.2 m-85 -124.16 -172.07 2.47 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.6 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.2 m -161.97 179.57 7.91 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.541 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 5.5 m-20 -123.5 58.75 14.2 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.451 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.633 ' HG3' HD12 ' A' ' 567' ' ' LEU . 42.7 Cg_endo -69.63 152.05 69.9 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 123.377 2.718 . . . . 0.0 115.499 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.612 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 10.6 p90 -149.17 161.84 41.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.456 177.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 629' ' ' VAL . 23.6 t -116.35 132.3 66.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 119.912 -0.715 . . . . 0.0 112.905 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.8 mttp -114.62 131.12 56.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.762 178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.054 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -120.07 143.94 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.929 0.395 . . . . 0.0 111.549 -179.024 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.58 ' CE3' ' HE3' ' A' ' 593' ' ' LYS . 5.3 t90 -151.33 118.42 5.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.102 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.607 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 16.6 tp -90.54 107.73 19.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.547 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -94.71 159.42 33.49 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.763 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.533 ' HA ' ' HB3' ' A' ' 585' ' ' LYS . 4.4 Cg_exo -77.94 109.82 1.56 Allowed 'Cis proline' 0 N--CA 1.46 -0.485 0 C-N-CA 123.89 -1.296 . . . . 0.0 111.92 -0.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.547 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 1.4 p30 -23.59 128.06 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.929 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.84 -20.39 17.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.31 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -150.85 -138.33 2.83 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.988 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 590' ' ' LYS . 8.1 tptp -123.15 6.72 9.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.824 0.345 . . . . 0.0 110.715 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.97 -2.3 23.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -62.63 -20.42 64.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.957 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.58 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 14.6 mmtm -80.0 155.91 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.799 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.6 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 10.5 m-70 -158.25 166.2 32.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.118 0.485 . . . . 0.0 111.667 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.39 117.0 2.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.267 179.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.885 HG21 HG21 ' A' ' 561' ' ' ILE . 15.1 p -70.18 159.2 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.919 0.39 . . . . 0.0 111.09 -179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.519 ' HG3' ' CE ' ' A' ' 599' ' ' LYS . 17.3 pt20 -48.02 139.17 8.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.571 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.544 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.2 mm -74.32 124.9 32.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -104.49 83.85 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.195 0.522 . . . . 0.0 109.896 178.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.567 ' HE2' ' CD1' ' A' ' 632' ' ' TYR . 21.7 mmtp -55.91 155.03 6.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.445 -0.798 . . . . 0.0 112.058 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.481 ' O ' ' HB ' ' A' ' 602' ' ' THR . 6.8 mmmt 32.93 76.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.413 -0.812 . . . . 0.0 112.167 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.803 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.7 t 179.36 139.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.938 0.399 . . . . 0.0 111.069 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.927 HD13 ' O ' ' A' ' 567' ' ' LEU . 7.5 mt -113.6 -11.25 13.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.7 OUTLIER -131.94 49.72 4.96 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.695 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.803 ' HB3' HG21 ' A' ' 602' ' ' THR . 81.7 Cg_endo -78.3 170.88 17.85 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.911 2.407 . . . . 0.0 113.104 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 2.9 tt0 -121.34 113.01 19.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.473 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.529 ' HB2' HG22 ' A' ' 561' ' ' ILE . 66.8 m-85 -79.63 -52.39 8.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.391 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 561' ' ' ILE . 6.2 t-20 50.28 49.14 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 109.961 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.18 124.76 50.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.309 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -98.89 108.52 21.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.563 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 30.8 m-85 -91.27 171.67 9.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.975 -179.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.839 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.6 t80 -144.73 123.19 12.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.612 ' HE1' HG21 ' A' ' 559' ' ' VAL . 8.1 m-85 -103.95 152.29 22.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.725 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.45 57.91 0.65 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.894 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -123.78 145.33 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.725 179.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.481 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.8 OUTLIER -79.79 137.35 36.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.657 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 550' ' ' TYR . 55.5 t-80 -44.64 -51.24 9.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.051 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.34 -17.9 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.239 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.894 ' CB ' HD11 ' A' ' 615' ' ' ILE . 9.1 m-20 -105.58 -29.14 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.721 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.627 HD21 HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.2 -65.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.637 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.786 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.67 -53.27 1.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.873 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -63.23 -14.2 46.49 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 111.182 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.777 ' HD2' HD13 ' A' ' 615' ' ' ILE . 1.3 mmpt? -75.58 179.89 5.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.276 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.31 104.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.346 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.528 HD23 HD11 ' A' ' 627' ' ' ILE . 54.8 tp -79.42 114.37 18.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -97.47 97.35 9.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.528 HD11 HD23 ' A' ' 625' ' ' LEU . 3.6 mp -90.27 106.85 17.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.73 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 640' ' ' TYR . 88.3 p -117.92 135.95 53.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 580' ' ' VAL . 21.3 t -108.2 129.4 62.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.892 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.612 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 28.2 m95 -121.55 147.46 45.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.766 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.55 ' HB3' ' CG1' ' A' ' 641' ' ' ILE . 0.7 OUTLIER -90.59 120.84 32.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.017 0.437 . . . . 0.0 109.904 178.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 633' ' ' ASP . 41.8 t80 -73.88 165.02 25.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.185 -179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.7 m-20 -159.93 119.12 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.48 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -77.63 131.01 35.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 179.776 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 76.46 -3.12 55.53 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 -167.63 2.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.351 . . . . 0.0 110.829 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 37.6 m -97.36 155.35 16.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -80.43 -170.69 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.542 ' CB ' ' OD2' ' A' ' 631' ' ' ASP . 0.2 OUTLIER -160.12 158.54 30.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 628' ' ' SER . 1.1 t80 -89.76 112.53 23.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.594 179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.559 HD12 ' HB3' ' A' ' 578' ' ' PRO . 60.3 mt -83.35 -56.98 4.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.496 ' HA3' ' HB3' ' A' ' 675' ' ' LEU . . . 179.85 156.66 18.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.812 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -168.75 -150.37 6.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.431 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 178.48 172.25 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.431 ' O ' ' HD3' ' A' ' 654' ' ' ARG . 32.6 mt-30 -109.26 137.32 47.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.764 HD11 ' NE2' ' A' ' 673' ' ' HIS . 9.3 mt -124.77 89.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.317 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -139.53 148.7 20.24 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.865 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.9 OUTLIER -60.86 -11.74 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-O 120.95 0.405 . . . . 0.0 111.591 -179.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -88.21 14.26 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.159 0.504 . . . . 0.0 109.785 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -95.44 156.81 16.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.427 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -131.67 130.77 42.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.615 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 131.82 -70.69 0.51 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 656' ' ' LYS . 2.0 mt-10 -153.95 -41.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.57 0.224 . . . . 0.0 111.565 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.565 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.6 mtt85 -49.64 -34.43 18.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.865 HD12 ' HA ' ' A' ' 648' ' ' ILE . 25.0 tp -62.82 -33.33 74.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.51 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 15.7 mtpp -64.75 -59.3 4.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.122 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.606 ' CG ' ' HG2' ' A' ' 671' ' ' ARG . 6.8 t-160 -57.45 -53.28 59.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.193 0.52 . . . . 0.0 110.726 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 62.9 t-105 -60.02 -79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.854 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -39.71 -61.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.949 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.558 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.4 pt-20 -42.92 -33.78 0.85 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.097 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.705 ' HA ' HD11 ' A' ' 669' ' ' ILE . 31.3 t -58.98 -41.31 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.786 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -59.77 -24.43 64.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.888 178.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -39.2 16.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.901 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.522 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.2 m-20 -106.69 58.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.642 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.545 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 0.7 OUTLIER -49.98 -82.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -179.786 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.44 -22.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.217 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.522 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 6.4 mttm -82.88 125.41 31.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.516 ' CB ' ' SD ' ' A' ' 549' ' ' MET . 0.0 OUTLIER -79.63 118.58 21.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 -179.725 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.705 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.7 OUTLIER -92.03 158.68 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.802 179.802 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.555 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 4.0 mt-10 -156.07 134.47 11.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.054 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.606 ' HG2' ' CG ' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -165.73 158.34 15.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.941 ' NE1' HD13 ' A' ' 545' ' ' LEU . 84.2 m95 -97.03 132.28 43.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.764 ' NE2' HD11 ' A' ' 646' ' ' LEU . 88.1 m-70 -110.73 129.59 55.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.762 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -73.59 104.85 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.375 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.496 ' HB3' ' HA3' ' A' ' 642' ' ' GLY . 92.8 mt -53.98 128.71 31.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.223 0.535 . . . . 0.0 111.443 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.405 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 2.7 mt-30 -120.23 159.48 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.649 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.5 110.89 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.047 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 640' ' ' TYR . 2.5 tt0 -91.02 -57.62 2.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.547 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -130.88 135.83 48.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.921 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.532 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 110.82 175.54 20.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.655 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -132.75 135.86 45.99 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.532 HD13 ' N ' ' A' ' 545' ' ' LEU . 0.1 OUTLIER -112.76 129.44 68.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 111.724 -179.638 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.989 ' HG ' HD13 ' A' ' 562' ' ' ILE . 20.5 tp -79.56 114.98 18.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.215 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.508 HG23 HG23 ' A' ' 544' ' ' ILE . 77.4 t -114.76 130.33 69.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.337 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.841 ' HB2' HD11 ' A' ' 562' ' ' ILE . 0.5 OUTLIER -112.23 136.71 51.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.304 179.317 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 669' ' ' ILE . 15.6 mt -118.97 163.13 17.4 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.047 0.451 . . . . 0.0 111.503 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.532 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.8 tmm? 174.26 125.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.491 ' CD1' ' HA ' ' A' ' 557' ' ' LEU . 48.5 t80 -105.24 133.9 49.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.944 0.402 . . . . 0.0 110.892 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.12 85.34 2.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.855 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.484 HG21 ' HD2' ' A' ' 665' ' ' LYS . 1.2 p -49.73 -39.89 38.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.025 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -49.3 62.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.978 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.02 -17.17 51.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.426 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 71.86 41.0 56.77 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -158.47 163.42 32.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.696 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.1 tp -88.89 157.94 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.649 0.261 . . . . 0.0 110.731 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.824 HD13 ' CD1' ' A' ' 612' ' ' PHE . 0.8 OUTLIER -127.97 120.38 53.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.029 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.588 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.6 t -108.35 122.55 63.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.67 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -112.18 114.02 3.43 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.387 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.052 HD11 ' CD2' ' A' ' 582' ' ' LEU . 35.7 mm -93.45 98.01 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.989 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.8 mp -73.94 -73.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 3.2 ptm180 -164.04 171.63 14.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.184 0.516 . . . . 0.0 112.013 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.521 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -124.18 161.5 25.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.948 179.034 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 34.4 m -142.7 145.71 22.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.139 0.495 . . . . 0.0 112.198 -179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.525 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 1.1 t-80 49.58 57.67 6.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.056 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.831 ' O ' HD13 ' A' ' 603' ' ' LEU . 15.3 mt -84.01 162.55 20.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -74.32 145.59 43.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.512 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -107.31 113.13 26.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.068 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.491 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 16.5 mmt -83.19 -25.74 31.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.794 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -84.29 154.58 22.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -68.63 -6.75 27.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.084 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 34.3 m-20 -80.81 -6.34 58.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.501 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 87.21 9.56 72.98 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.465 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 3.0 m-85 -123.29 -168.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.823 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.589 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.4 OUTLIER -160.02 178.59 9.55 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-O 121.067 0.461 . . . . 0.0 111.473 -179.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.527 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 16.0 m-20 -121.25 58.37 7.58 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.592 ' HG3' HD12 ' A' ' 567' ' ' LEU . 32.7 Cg_endo -66.24 143.98 72.94 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 123.403 2.735 . . . . 0.0 115.504 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 29.3 p90 -146.08 162.03 38.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 113.791 -1.549 . . . . 0.0 107.464 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 629' ' ' VAL . 25.0 t -116.5 129.96 72.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.723 -178.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.554 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.7 OUTLIER -112.74 130.95 55.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.417 178.798 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.052 ' CD2' HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -118.99 138.62 52.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.633 -178.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.601 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 4.9 t90 -147.09 118.02 7.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 623' ' ' LYS . 15.5 tp -92.84 108.95 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.888 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.449 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 13.8 mtmt -82.62 157.92 66.48 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.775 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.544 ' HD3' ' NZ ' ' A' ' 623' ' ' LYS . 8.5 Cg_endo -88.83 114.71 2.72 Favored 'Cis proline' 0 N--CA 1.451 -0.998 0 C-N-CA 123.804 -1.332 . . . . 0.0 111.866 -0.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 586' ' ' PRO . 4.9 p-10 -21.01 110.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.738 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -92.14 -41.54 10.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.801 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -125.13 -2.2 7.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.29 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER 89.13 -32.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.36 . . . . 0.0 110.696 -179.693 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . 0.481 ' N ' ' HG2' ' A' ' 590' ' ' LYS . 0.0 OUTLIER -65.25 -16.28 63.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.093 0.473 . . . . 0.0 110.501 179.41 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -45.28 -24.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.601 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 34.1 mttt -81.5 157.8 24.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.794 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.649 ' HB2' HD12 ' A' ' 582' ' ' LEU . 16.8 m-70 -157.14 176.62 12.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.109 0.48 . . . . 0.0 111.457 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 125.21 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.101 179.519 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.607 HG21 HG21 ' A' ' 561' ' ' ILE . 4.0 p -81.42 160.19 24.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.389 . . . . 0.0 111.012 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.98 149.27 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.615 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.2 mm -87.64 128.01 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.039 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.829 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -104.97 63.34 0.7 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 109.893 179.354 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.527 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.0 OUTLIER -50.45 137.81 18.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.108 -179.128 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.533 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 66.15 62.43 0.59 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.406 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.829 HG22 ' O ' ' A' ' 599' ' ' LYS . 4.3 t 176.93 145.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.94 179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.831 HD13 ' O ' ' A' ' 567' ' ' LEU . 11.1 mt -115.81 -14.61 11.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.753 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -123.02 43.86 0.83 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 -179.616 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.767 ' HB3' HG21 ' A' ' 602' ' ' THR . 55.4 Cg_endo -71.74 173.44 12.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.777 2.318 . . . . 0.0 112.967 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 74.8 tt0 -121.47 119.54 32.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.379 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.483 ' CD2' HG22 ' A' ' 561' ' ' ILE . 46.7 m-85 -88.6 -58.57 2.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.407 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.4 OUTLIER 50.22 47.94 22.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.011 0.434 . . . . 0.0 110.103 -179.365 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.449 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.6 mm-40 -106.15 130.74 53.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.265 -179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -105.64 112.02 24.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.744 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.509 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 41.0 m-85 -95.85 174.84 6.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.164 -179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.824 ' CD1' HD13 ' A' ' 558' ' ' ILE . 5.7 t80 -147.41 125.35 12.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.163 179.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.6 m-85 -105.0 157.14 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.816 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.09 64.83 0.61 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.063 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.869 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -132.23 140.35 47.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.738 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 619' ' ' ASP . 23.7 mmtt -74.63 131.72 41.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.538 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.532 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 42.2 t-80 -42.52 -43.9 3.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.9 -24.79 25.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.769 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.869 ' CB ' HD11 ' A' ' 615' ' ' ILE . 74.3 m-20 -101.81 -29.19 12.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.516 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.648 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -34.85 -66.42 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.573 179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.763 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -36.15 -57.1 0.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.792 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.25 -20.44 62.84 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.84 0.352 . . . . 0.0 111.286 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.752 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.4 OUTLIER -65.49 172.06 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 -179.765 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.86 104.67 3.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.189 179.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.548 HD23 HD11 ' A' ' 627' ' ' ILE . 23.1 tp -79.02 144.08 35.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.62 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' A' ' 582' ' ' LEU . 1.8 t70 -129.71 97.37 4.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.548 HD11 HD23 ' A' ' 625' ' ' LEU . 2.0 mp -92.27 97.75 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.376 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.495 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 90.7 p -110.3 130.68 55.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.642 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.626 HG22 HG22 ' A' ' 580' ' ' VAL . 6.8 t -101.67 125.25 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.125 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.637 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 52.2 m95 -122.73 146.78 47.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 111.549 -179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.7 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.72 113.06 21.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.113 0.483 . . . . 0.0 110.147 179.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.761 ' HE1' HG23 ' A' ' 634' ' ' ILE . 38.1 t80 -69.44 164.28 23.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.496 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.22 125.93 4.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.761 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.01 133.33 31.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 85.58 -17.97 32.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.376 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -132.26 -165.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.759 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.2 OUTLIER -87.14 175.87 7.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.823 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -99.06 -176.92 3.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.783 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.476 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 21.1 m-20 -138.35 154.47 48.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.637 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.45 107.56 19.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 631' ' ' ASP . 71.4 mt -83.18 -38.16 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.606 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 147.84 161.47 9.52 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.535 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.495 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.4 -171.35 27.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.585 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . 0.534 ' SG ' ' CG ' ' A' ' 673' ' ' HIS . 16.4 p -153.31 154.36 34.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.492 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 4.2 mt-30 -105.85 136.35 45.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.862 HD11 ' NE2' ' A' ' 673' ' ' HIS . 12.2 mt -125.35 93.71 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.999 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.55 150.12 20.92 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.841 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.893 ' HA ' HD12 ' A' ' 655' ' ' LEU . 1.3 tt -65.56 -9.47 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 121.009 0.433 . . . . 0.0 111.342 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 4.1 t -91.94 15.07 13.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.14 0.495 . . . . 0.0 109.814 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 654' ' ' ARG . . . -91.88 -171.87 3.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.361 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -146.12 134.93 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.7 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . 0.422 ' C ' ' OE2' ' A' ' 653' ' ' GLU . . . 104.77 -102.19 2.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.679 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 652' ' ' GLY . 3.4 mm-40 -108.77 -44.46 4.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.095 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.492 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 1.3 mtt-85 -42.22 -27.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.763 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.893 HD12 ' HA ' ' A' ' 648' ' ' ILE . 24.4 tp -86.33 -45.83 10.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.585 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 3.2 pttp -57.08 -57.36 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.585 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 19.0 t-160 -57.58 -55.03 40.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 110.625 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 44.6 t-105 -61.47 -64.71 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.158 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.66 ' CG ' HD11 ' A' ' 648' ' ' ILE . 0.9 OUTLIER -53.58 -62.35 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.788 -179.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 656' ' ' LYS . 0.0 OUTLIER -42.96 -29.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.063 -179.274 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.512 ' HA ' HD11 ' A' ' 669' ' ' ILE . 12.4 t -62.18 -45.22 94.38 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.763 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.3 OUTLIER -55.61 -30.23 60.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.811 178.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.457 ' HG3' ' HA ' ' A' ' 660' ' ' GLU . 7.1 mtpt -79.94 -46.97 15.77 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.367 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.472 ' OD1' ' HG3' ' A' ' 667' ' ' LYS . 1.2 m-20 -99.05 42.69 1.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.666 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.532 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 0.0 OUTLIER -42.32 -69.04 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -179.623 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.76 -21.02 1.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.127 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 549' ' ' MET . 6.8 mmtm -94.53 138.1 32.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.759 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.499 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -86.22 132.0 34.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.474 -179.645 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.512 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.4 OUTLIER -113.21 149.7 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.352 179.447 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 670' ' ' GLU . 0.8 OUTLIER -152.18 148.83 28.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 111.233 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.536 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -170.68 166.32 8.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.878 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.855 ' NE1' HD13 ' A' ' 545' ' ' LEU . 92.3 m95 -98.98 131.12 45.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.15 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.862 ' NE2' HD11 ' A' ' 646' ' ' LEU . 79.2 m-70 -110.02 131.38 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 674' ' ' GLN . 0.9 OUTLIER -77.67 103.05 7.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.606 HD22 ' O ' ' A' ' 642' ' ' GLY . 86.3 mt -48.08 130.64 15.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.36 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -124.63 166.27 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.824 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.69 122.4 43.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.788 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -98.17 -79.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -90.19 -166.32 1.56 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.999 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.863 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 6.0 mtt85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.666 0.269 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 143.99 169.52 12.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.579 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -126.4 140.81 52.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.0 110.399 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.504 ' HA ' ' HA ' ' A' ' 564' ' ' CYS . 0.0 OUTLIER -120.56 128.67 76.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.98 0.419 . . . . 0.0 111.79 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.957 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.9 tp -79.87 124.18 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.328 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.546 HG21 HG21 ' A' ' 627' ' ' ILE . 56.0 t -126.58 137.64 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.57 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.641 ' HB3' HD11 ' A' ' 562' ' ' ILE . 27.3 p -119.07 121.92 40.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.14 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 658' ' ' TRP . 13.2 mt -101.84 163.36 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.016 0.436 . . . . 0.0 111.625 -179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.514 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.5 ttp 175.39 128.62 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.614 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.526 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 58.4 t80 -108.17 131.51 54.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 110.967 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.25 82.81 2.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.953 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.408 HG21 ' HD3' ' A' ' 665' ' ' LYS . 1.2 p -47.3 -36.63 9.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.072 0.463 . . . . 0.0 110.619 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.504 ' HG3' ' N ' ' A' ' 554' ' ' GLN . 1.3 tp60 -54.55 -57.05 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.375 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . 0.504 ' N ' ' HG3' ' A' ' 553' ' ' GLN . 4.4 mm-40 -73.09 -15.82 61.48 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.423 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.5 41.88 65.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.526 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -155.91 171.15 33.79 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.572 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.611 HD12 ' H ' ' A' ' 558' ' ' ILE . 10.1 tp -96.14 160.78 14.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.362 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.834 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.1 mm -130.03 121.46 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.87 HG11 HD22 ' A' ' 582' ' ' LEU . 3.0 t -111.24 122.06 65.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.814 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -112.16 123.29 6.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.324 -0.941 . . . . 0.0 113.43 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.057 HD11 HD21 ' A' ' 582' ' ' LEU . 10.0 mm -103.52 96.46 4.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 3.0 mp -72.04 -75.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.349 -178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 2.7 ptm180 -155.85 175.65 13.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.141 0.496 . . . . 0.0 111.905 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.595 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.3 p -131.36 160.54 34.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.99 179.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 35.7 m -143.51 145.74 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 112.316 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.511 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 55.06 59.41 4.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.282 179.46 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 1.023 ' O ' HD13 ' A' ' 603' ' ' LEU . 19.0 mt -90.61 146.79 23.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -67.58 149.92 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.498 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -103.88 116.53 32.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.499 ' HG3' ' HB2' ' A' ' 639' ' ' ASP . 10.0 mmt -82.66 -23.95 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -88.75 158.6 18.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.068 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -74.11 -1.04 18.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -84.05 -12.64 54.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.705 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.498 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 96.82 3.2 59.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.24 -169.44 1.85 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 111.885 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.505 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 1.0 OUTLIER -157.46 179.55 9.14 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.419 -179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.47 ' HB3' ' HD2' ' A' ' 600' ' ' LYS . 0.7 OUTLIER -126.74 57.67 23.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.194 179.196 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.653 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.1 Cg_endo -66.72 149.26 83.72 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 123.467 2.778 . . . . 0.0 115.242 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.1 p90 -146.15 160.14 42.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.04 -1.436 . . . . 0.0 107.837 177.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.669 ' O ' HG23 ' A' ' 596' ' ' THR . 17.4 t -111.56 134.77 52.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.035 -0.666 . . . . 0.0 112.63 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 594' ' ' HIS . 6.2 mttm -117.41 141.3 48.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.751 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.057 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -125.9 132.54 52.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.875 0.369 . . . . 0.0 111.385 -178.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.574 ' CD1' ' CD ' ' A' ' 585' ' ' LYS . 2.6 t90 -132.4 126.72 33.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.261 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.597 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 12.2 tp -113.28 114.04 26.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.095 0.474 . . . . 0.0 110.807 178.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.574 ' CD ' ' CD1' ' A' ' 583' ' ' TRP . 0.0 OUTLIER -90.58 153.56 45.87 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.976 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 2.9 Cg_exo -76.23 179.26 31.71 Favored 'Cis proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.644 -1.815 . . . . 0.0 111.642 -0.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.82 102.25 10.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.799 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . 0.463 ' HG2' ' N ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER -86.91 -32.42 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.85 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -133.03 -3.23 3.6 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.431 -0.89 . . . . 0.0 112.818 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 4.6 tmtt? 87.14 -35.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.659 -179.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -71.98 -5.94 38.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.543 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -37.62 -30.16 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.655 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 582' ' ' LEU . 0.0 OUTLIER -83.57 154.14 23.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.501 179.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.812 ' HB2' HD12 ' A' ' 582' ' ' LEU . 15.2 m-70 -146.82 179.54 7.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.258 0.551 . . . . 0.0 112.047 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.521 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.32 120.81 2.93 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.916 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.742 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.7 p -80.8 174.71 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.954 0.407 . . . . 0.0 111.212 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . 0.49 ' HG3' ' HE3' ' A' ' 599' ' ' LYS . 24.1 pt20 -47.68 153.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.659 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.537 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -88.19 128.63 40.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.394 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.672 ' O ' HG22 ' A' ' 602' ' ' THR . 0.1 OUTLIER -96.72 70.89 2.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.15 179.406 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.47 ' HD2' ' HB3' ' A' ' 577' ' ' ASP . 6.0 mmmm -51.62 146.01 8.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.078 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.422 ' HG2' ' C ' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 31.03 74.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.976 179.311 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.795 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.2 t -177.74 143.77 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.798 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 1.023 HD13 ' O ' ' A' ' 567' ' ' LEU . 11.9 mt -117.32 -13.12 10.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 605' ' ' PRO . 56.4 m-80 -130.52 50.61 6.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.564 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.795 ' HB3' HG21 ' A' ' 602' ' ' THR . 91.0 Cg_endo -80.23 -172.67 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.88 2.387 . . . . 0.0 112.906 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.475 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 0.2 OUTLIER -134.76 117.06 15.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.368 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.581 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 71.9 m-85 -81.49 -58.95 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.252 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 562' ' ' ILE . 4.7 t30 54.46 47.07 23.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.127 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.419 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 3.7 mm-40 -108.21 134.35 51.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.218 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -109.98 112.7 24.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.462 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.742 ' CE1' HG22 ' A' ' 596' ' ' THR . 47.9 m-85 -94.1 172.55 8.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.284 0.564 . . . . 0.0 112.22 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.834 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.9 t80 -144.74 121.75 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.121 179.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 6.7 m-85 -102.1 155.38 18.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -110.21 64.16 0.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.888 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -129.44 146.86 33.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.795 179.594 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.512 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.7 OUTLIER -78.84 136.19 37.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.54 ' NE2' ' HE2' ' A' ' 665' ' ' LYS . 54.7 t-80 -46.64 -45.51 19.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.11 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.53 -22.83 35.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.888 ' CB ' HD11 ' A' ' 615' ' ' ILE . 60.6 m-20 -102.49 -29.44 11.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.296 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.84 -67.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.921 179.693 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.863 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -34.82 -57.4 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.178 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -62.3 -19.69 63.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.61 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 615' ' ' ILE . 7.3 mmpt? -65.79 164.78 14.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.935 0.398 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.72 102.35 4.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.581 179.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 37.6 tp -80.08 129.11 34.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.914 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . 0.503 ' HB3' ' HB3' ' A' ' 583' ' ' TRP . 34.3 t70 -109.49 94.0 4.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.201 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.889 HD11 HD12 ' A' ' 646' ' ' LEU . 1.9 mp -86.94 102.42 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.322 179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 1.3 m -119.17 143.78 47.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.073 0.464 . . . . 0.0 111.862 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 580' ' ' VAL . 18.4 t -112.33 119.52 60.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.258 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.616 ' CH2' ' CD2' ' A' ' 640' ' ' TYR . 49.3 m95 -118.03 146.44 44.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 111.486 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.786 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.35 118.73 24.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.236 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.733 ' HE1' HG23 ' A' ' 634' ' ' ILE . 24.1 t80 -69.76 163.84 24.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -157.47 130.93 7.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.756 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.733 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.69 139.9 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.271 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . 0.424 ' C ' ' HG2' ' A' ' 636' ' ' LYS . . . 83.04 -15.47 32.75 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.724 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . 0.424 ' HG2' ' C ' ' A' ' 635' ' ' GLY . 0.0 OUTLIER -143.82 -163.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.952 0.406 . . . . 0.0 110.87 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 633' ' ' ASP . 3.5 m -79.97 -172.3 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.794 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.76 -167.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.958 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.499 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 1.1 m-20 -139.32 156.86 46.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.616 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -94.56 115.13 27.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' A' ' 631' ' ' ASP . 86.2 mt -95.39 -42.59 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.634 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 156.36 157.84 8.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -155.46 -167.3 16.82 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.72 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 12.8 p -157.49 142.27 16.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.498 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 37.6 mt-30 -93.79 143.34 26.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.621 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.889 HD12 HD11 ' A' ' 627' ' ' ILE . 14.5 mt -134.12 90.02 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.124 0.488 . . . . 0.0 111.523 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.67 135.23 7.7 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.945 HD11 ' CD2' ' A' ' 659' ' ' TYR . 1.3 tt -53.58 -20.73 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 CA-C-N 116.981 0.39 . . . . 0.0 111.518 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 17.4 t -73.91 -2.77 25.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.251 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -79.93 -179.85 7.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.364 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 9.3 ptmt -149.45 134.95 18.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.771 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 119.92 -86.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.71 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 656' ' ' LYS . 0.9 OUTLIER -128.28 -48.28 1.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.705 0.288 . . . . 0.0 111.168 -179.794 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.584 ' HB3' HD23 ' A' ' 646' ' ' LEU . 0.9 OUTLIER -41.83 -27.86 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.024 0.44 . . . . 0.0 110.718 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 648' ' ' ILE . 21.9 tp -79.55 -42.28 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 660' ' ' GLU . 68.0 mttm -56.15 -50.68 70.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.348 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.552 ' CD2' ' HB ' ' A' ' 669' ' ' ILE . 13.8 t-160 -69.68 -63.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.93 0.395 . . . . 0.0 110.84 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.524 ' HA ' HD12 ' A' ' 548' ' ' LEU . 47.4 t-105 -47.76 -79.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.801 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.945 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -35.67 -55.09 0.71 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.392 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.766 ' HB3' HD12 ' A' ' 669' ' ' ILE . 6.2 mm-40 -38.19 -45.42 0.95 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.015 0.436 . . . . 0.0 110.531 -179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.503 ' SG ' ' N ' ' A' ' 549' ' ' MET . 18.9 t -48.55 -37.16 17.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.375 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.863 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.1 mp -68.73 -41.82 78.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.933 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.455 ' HG2' ' OE1' ' A' ' 660' ' ' GLU . 2.5 pttt -74.83 -36.36 62.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.393 0.616 . . . . 0.0 109.427 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 667' ' ' LYS . 1.2 m-20 -112.28 66.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.6 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.54 ' HE2' ' NE2' ' A' ' 617' ' ' HIS . 2.5 mptt -55.4 -75.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -53.11 -18.7 2.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.307 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 664' ' ' ASN . 8.0 mttm -96.17 140.61 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.965 0.412 . . . . 0.0 110.791 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 0.0 OUTLIER -92.98 145.61 24.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.518 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.766 HD12 ' HB3' ' A' ' 660' ' ' GLU . 0.6 OUTLIER -117.26 108.53 25.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.255 179.428 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.519 ' HG2' ' HB3' ' A' ' 547' ' ' SER . 4.6 mt-10 -105.94 140.27 39.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.492 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -172.62 160.36 4.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.12 179.661 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.957 ' NE1' HD13 ' A' ' 545' ' ' LEU . 85.8 m95 -94.15 141.96 27.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.304 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.508 ' NE2' HD11 ' A' ' 646' ' ' LEU . 40.3 m-70 -120.1 131.77 55.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.35 102.15 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.562 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 642' ' ' GLY . 82.0 mt -48.93 132.81 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.312 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -123.5 163.06 21.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.693 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.47 104.31 16.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.947 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.98 -82.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 680' ' ' HIS . 28.7 t-20 -110.46 157.37 19.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . 0.518 ' N ' ' OD1' ' A' ' 679' ' ' ASN . 54.8 t60 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.958 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.703 0.287 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . 122.16 179.02 15.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.676 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 674' ' ' GLN . 8.4 mtmm -140.86 136.21 32.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.643 0.259 . . . . 0.0 110.343 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.634 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -113.68 127.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 111.721 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.93 ' HG ' HD13 ' A' ' 562' ' ' ILE . 16.9 tp -79.6 123.18 27.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.417 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 53.3 t -120.02 136.6 56.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.682 ' HB3' HD11 ' A' ' 562' ' ' ILE . 1.9 p -114.84 118.15 32.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.29 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 549' ' ' MET . 9.8 mt -102.47 157.99 16.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.013 0.435 . . . . 0.0 111.393 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.497 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 2.0 tmm? 175.72 126.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 617' ' ' HIS . 52.1 t80 -105.36 128.97 53.77 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.868 0.366 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . 0.457 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.3 OUTLIER -101.14 96.32 7.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.833 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.507 HG22 ' HG2' ' A' ' 665' ' ' LYS . 1.1 p -62.64 -36.84 84.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.131 0.491 . . . . 0.0 109.824 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . 0.453 ' NE2' ' H ' ' A' ' 553' ' ' GLN . 3.5 mp0 -49.81 -44.13 49.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.791 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.72 -16.23 27.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.148 179.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.84 41.35 49.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.457 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . . . . . . . . . . . -152.62 169.18 31.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.562 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.1 tp -93.76 160.13 14.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.714 0.293 . . . . 0.0 110.56 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.825 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -130.08 123.05 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.839 HG11 HD22 ' A' ' 582' ' ' LEU . 11.1 t -113.35 119.63 61.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.551 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -111.75 115.23 3.81 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.532 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.058 HD11 HD21 ' A' ' 582' ' ' LEU . 42.2 mm -92.61 96.04 5.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.93 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.5 mp -71.09 -73.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.16 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 605' ' ' PRO . 1.5 ptm180 -161.68 175.07 12.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 0.0 111.792 -179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.597 ' SG ' HD11 ' A' ' 567' ' ' LEU . 5.6 p -129.57 159.34 36.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.903 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.4 m -142.24 145.98 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.192 0.52 . . . . 0.0 112.315 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.522 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.0 OUTLIER 55.12 54.06 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.299 179.365 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 1.014 ' O ' HD13 ' A' ' 603' ' ' LEU . 11.7 mt -84.62 146.0 27.72 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.04 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -65.95 147.6 53.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.327 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.628 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -117.63 110.09 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.978 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.486 ' HE3' ' OG ' ' A' ' 576' ' ' SER . 2.3 mtm -86.12 -25.66 25.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.0 0.429 . . . . 0.0 110.874 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -67.46 150.68 48.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.629 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -67.58 -6.79 21.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.196 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -83.98 -9.34 58.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.506 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 90.85 7.59 66.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.296 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.628 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.9 m-85 -125.88 -169.43 2.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 0.0 111.992 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.537 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.0 OUTLIER -153.5 -179.78 8.08 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.118 -179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.516 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 3.5 m-20 -125.55 56.83 15.64 Favored Pre-proline 0 N--CA 1.463 0.193 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.641 ' HG3' HD12 ' A' ' 567' ' ' LEU . 30.5 Cg_endo -64.55 145.45 87.42 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 123.651 2.901 . . . . 0.0 115.733 -177.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 19.1 p90 -146.18 159.47 43.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.633 177.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.574 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 21.2 t -110.92 131.45 62.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 119.984 -0.686 . . . . 0.0 112.429 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.58 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.3 OUTLIER -116.75 130.35 56.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.864 179.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.058 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -122.3 136.52 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.698 -178.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.533 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 5.8 t90 -143.74 118.33 9.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.589 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 15.0 tp -93.99 111.24 22.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER -96.34 161.58 26.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.183 179.536 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.564 ' HA ' ' HB3' ' A' ' 585' ' ' LYS . 3.4 Cg_exo -77.5 108.82 1.24 Allowed 'Cis proline' 0 N--CA 1.46 -0.464 0 C-N-CA 124.14 -1.191 . . . . 0.0 112.18 0.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.542 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 9.0 p-10 -22.31 109.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.946 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . 0.446 ' HE1' ' HB ' ' A' ' 615' ' ' ILE . 0.0 OUTLIER -91.22 -18.97 23.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.287 179.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -141.3 -143.07 4.21 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.051 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.32 -3.69 7.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.803 0.335 . . . . 0.0 110.854 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -106.69 8.62 31.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.795 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -62.04 -22.3 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.52 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 14.0 mttt -92.72 159.76 15.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.281 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.772 ' HB2' HD12 ' A' ' 582' ' ' LEU . 30.8 m-70 -154.12 173.73 15.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.051 0.453 . . . . 0.0 111.603 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.503 ' HG3' ' HE2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -158.99 108.12 1.92 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.078 179.361 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.814 HG21 HG21 ' A' ' 561' ' ' ILE . 10.3 p -63.48 159.81 17.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.953 0.406 . . . . 0.0 111.091 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -42.73 143.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.314 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.522 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.0 mm -76.61 120.87 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.113 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.556 ' O ' HG22 ' A' ' 602' ' ' THR . 12.1 mmtt -91.3 77.31 5.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.12 179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.473 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 11.8 mmtm -59.31 151.24 23.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.738 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 600' ' ' LYS . 0.2 OUTLIER 31.98 69.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.882 179.508 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.787 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.9 t -177.7 144.94 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.924 179.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 1.014 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.7 mt -119.67 -12.38 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.563 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.9 m-80 -128.23 45.56 1.73 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.51 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.787 ' HB3' HG21 ' A' ' 602' ' ' THR . 73.3 Cg_endo -74.52 -178.84 4.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.907 2.405 . . . . 0.0 112.813 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.483 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 29.6 tt0 -126.24 118.2 24.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.39 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.659 ' CB ' HG22 ' A' ' 561' ' ' ILE . 67.1 m-85 -83.63 -59.9 2.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.296 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.2 t-20 52.46 45.05 29.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.269 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.471 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 15.4 mm-40 -107.15 127.77 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.155 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.95 113.81 27.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.604 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 594' ' ' HIS . 52.4 m-85 -95.62 173.05 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 112.148 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.825 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.6 t80 -144.02 121.14 11.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.236 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 7.6 m-85 -102.63 153.27 20.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.638 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.97 60.67 0.6 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.043 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.863 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.0 OUTLIER -124.09 137.42 57.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.7 132.68 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.446 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 550' ' ' TYR . 44.1 t-80 -45.4 -46.03 13.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.458 ' O ' ' HE3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -59.27 -15.57 16.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.254 -179.705 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.863 ' CB ' HD11 ' A' ' 615' ' ' ILE . 86.0 m-20 -105.3 -28.99 10.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.578 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.589 HD23 HG12 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.19 -66.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.71 179.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.802 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -42.61 -41.59 3.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.279 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 618' ' ' SER . 0.0 OUTLIER -70.63 -14.08 62.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.944 0.402 . . . . 0.0 111.22 -179.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.746 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.3 mmpt? -81.93 -177.0 6.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.408 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.79 105.04 2.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.173 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 646' ' ' LEU . 43.4 tp -79.17 118.42 21.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 626' ' ' ASP . 9.3 t0 -106.62 99.26 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.593 HD11 HD12 ' A' ' 646' ' ' LEU . 2.3 mp -93.31 106.3 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.497 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 59.8 p -117.72 131.74 56.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.5 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.548 ' CG2' HD21 ' A' ' 675' ' ' LEU . 11.9 t -101.31 128.15 53.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.323 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 53.7 m95 -122.83 141.97 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.926 ' HB2' HD11 ' A' ' 641' ' ' ILE . 1.2 t0 -85.28 106.79 16.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.423 179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.705 ' HE1' HG23 ' A' ' 634' ' ' ILE . 33.7 t80 -57.91 164.21 2.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.322 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.628 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.4 OUTLIER -160.28 126.74 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.705 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.52 136.31 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 90.07 -21.85 28.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.54 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.69 -170.96 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.2 p -80.06 148.98 30.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -56.42 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 631' ' ' ASP . 78.7 m-20 -141.46 150.97 42.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -93.67 116.96 29.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.813 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.926 HD11 ' HB2' ' A' ' 631' ' ' ASP . 69.4 mt -95.61 -43.36 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.954 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.732 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 154.57 161.64 10.64 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.573 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -161.83 -165.31 18.5 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.638 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.86 156.1 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.49 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 12.6 pt20 -102.09 141.99 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.604 HD21 ' CE1' ' A' ' 673' ' ' HIS . 14.1 mt -129.53 89.97 2.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -134.36 143.3 14.93 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.702 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.882 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.8 OUTLIER -60.13 -12.26 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.882 0.341 . . . . 0.0 111.663 -179.116 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 34.2 t -87.1 13.04 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.037 0.446 . . . . 0.0 109.984 178.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -96.04 175.57 6.43 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.25 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.445 ' HG2' ' O ' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -140.8 134.16 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 117.22 -90.15 0.5 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.613 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -125.06 -46.16 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.966 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.49 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.7 OUTLIER -43.26 -27.13 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.616 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.882 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.5 tp -83.27 -47.95 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 10.9 mttt -51.34 -63.88 0.99 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.402 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.584 ' CD2' HG21 ' A' ' 669' ' ' ILE . 14.5 t-160 -54.36 -53.09 58.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.063 0.459 . . . . 0.0 110.809 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 58.8 t-105 -60.45 -77.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.01 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.784 ' CD2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -42.38 -60.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.056 -179.728 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.56 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 5.5 pt-20 -42.89 -34.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.064 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 34.0 t -56.69 -41.65 77.72 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.802 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -60.63 -25.69 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.936 178.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.14 -37.38 17.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.812 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.533 ' ND2' ' HD3' ' A' ' 667' ' ' LYS . 5.4 m-20 -106.27 59.32 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.666 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.54 ' CD ' ' O ' ' A' ' 662' ' ' LEU . 2.7 mppt? -49.7 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 3.7 p30 -48.95 -21.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.387 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.533 ' HD3' ' ND2' ' A' ' 664' ' ' ASN . 39.2 mttt -86.21 130.19 34.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.757 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.472 ' HG2' ' HG3' ' A' ' 549' ' ' MET . 0.2 OUTLIER -79.95 153.99 28.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.086 0.47 . . . . 0.0 111.494 -179.529 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.584 HG21 ' CD2' ' A' ' 657' ' ' HIS . 0.7 OUTLIER -126.78 159.37 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.315 179.362 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.544 ' HG3' ' CB ' ' A' ' 547' ' ' SER . 0.0 OUTLIER -158.81 125.51 4.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.413 ' HG2' ' C ' ' A' ' 670' ' ' GLU . 0.6 OUTLIER -153.69 163.78 39.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.518 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.922 ' CE2' HD13 ' A' ' 545' ' ' LEU . 84.9 m95 -102.61 132.35 48.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.68 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.604 ' CE1' HD21 ' A' ' 646' ' ' LEU . 87.1 m-70 -113.91 131.19 56.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.43 ' HA ' ' CG ' ' A' ' 543' ' ' LYS . 1.4 pt20 -79.28 103.33 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.507 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.732 HD22 ' O ' ' A' ' 642' ' ' GLY . 80.0 mt -44.41 130.67 6.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.249 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 643' ' ' GLY . 3.7 mt-30 -127.5 160.69 30.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.623 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.46 134.37 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 679' ' ' ASN . 0.2 OUTLIER -71.46 -55.75 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . 0.5 ' N ' ' HG3' ' A' ' 678' ' ' GLU . 0.4 OUTLIER -135.99 -84.53 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.879 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 2.7 mpt_? . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.811 0.339 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.58 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 108.69 175.93 21.71 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.639 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.83 137.65 50.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.658 0.266 . . . . 0.0 110.416 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.658 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -114.34 129.54 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.946 0.403 . . . . 0.0 111.657 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.994 HD13 ' NE1' ' A' ' 672' ' ' TRP . 18.7 tp -79.64 123.73 27.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 89.7 t -121.68 131.46 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.667 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.727 ' HB3' HD11 ' A' ' 562' ' ' ILE . 92.6 p -113.15 121.67 45.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.908 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.518 ' CB ' ' SG ' ' A' ' 661' ' ' CYS . 4.5 mt -101.68 167.99 9.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.878 -178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.555 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 0.0 OUTLIER 171.44 132.12 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.322 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 50.7 t80 -111.51 138.72 47.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 111.106 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.61 97.82 6.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.617 179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.54 HG22 ' HD2' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.74 -35.64 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 0.0 110.15 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -43.99 51.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.109 179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -92.28 -19.12 22.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.39 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.56 39.72 29.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.493 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -149.62 169.48 29.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.705 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 558' ' ' ILE . 6.7 tp -95.6 162.08 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 110.705 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.849 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -130.04 123.48 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.99 0.424 . . . . 0.0 111.035 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.681 HG11 HD22 ' A' ' 582' ' ' LEU . 7.3 t -114.2 119.27 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.828 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -110.27 117.49 4.72 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.403 -179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.053 HD11 HD21 ' A' ' 582' ' ' LEU . 49.2 mm -95.35 97.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.901 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.5 mp -71.76 -74.06 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.3 OUTLIER -159.57 176.45 12.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.189 0.518 . . . . 0.0 112.02 -178.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.568 ' SG ' HD11 ' A' ' 567' ' ' LEU . 7.4 p -131.36 159.13 38.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.934 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.87 145.05 23.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.257 0.551 . . . . 0.0 112.277 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.518 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 3.8 t60 56.65 59.17 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.345 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.877 ' O ' HD13 ' A' ' 603' ' ' LEU . 12.2 mt -90.12 161.53 15.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.929 0.395 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.53 ' HB3' ' HE1' ' A' ' 570' ' ' MET . . . -80.11 152.09 29.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.613 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -117.86 109.43 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.783 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.53 ' HE1' ' HB3' ' A' ' 568' ' ' ALA . 0.0 OUTLIER -79.06 -31.31 44.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.52 179.366 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -67.04 150.09 49.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -69.78 -5.75 27.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.059 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -82.9 -11.32 58.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.683 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.511 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.84 5.59 59.76 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.61 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.613 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.53 -169.33 1.95 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 112.154 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.503 ' HB3' ' HD3' ' A' ' 578' ' ' PRO . 0.6 OUTLIER -157.11 176.27 12.96 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.406 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.482 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 28.9 m-20 -120.41 58.4 6.09 Favored Pre-proline 0 C--N 1.33 -0.27 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.658 ' HG3' HD12 ' A' ' 567' ' ' LEU . 30.2 Cg_endo -64.66 136.86 51.69 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 123.518 2.812 . . . . 0.0 115.347 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.623 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 17.5 p90 -135.76 161.13 36.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.832 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.598 HG23 ' CZ ' ' A' ' 607' ' ' PHE . 24.7 t -113.65 138.95 41.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.721 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.585 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 2.4 mttp -117.3 148.52 41.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.626 178.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.053 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -136.81 132.15 34.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.9 0.381 . . . . 0.0 111.3 -179.465 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.542 ' HB2' ' CG ' ' A' ' 593' ' ' LYS . 4.1 t90 -142.2 118.33 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.188 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.651 HD11 ' CB ' ' A' ' 623' ' ' LYS . 13.9 tp -97.22 109.06 21.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.915 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.535 ' CG ' ' OG ' ' A' ' 624' ' ' SER . 8.3 ptmt -82.93 150.83 62.71 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.215 0.531 . . . . 0.0 111.062 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.426 ' C ' ' HA ' ' A' ' 585' ' ' LYS . 3.2 Cg_exo -75.78 -178.69 24.49 Favored 'Cis proline' 0 N--CA 1.454 -0.847 0 C-N-CA 122.638 -1.818 . . . . 0.0 111.656 -0.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.04 111.47 12.65 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.79 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -79.86 -40.44 28.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -139.55 6.06 2.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.611 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 0.0 OUTLIER 87.09 -20.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 15.9 mtpt -90.89 6.22 45.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.753 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -49.22 -29.12 5.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 583' ' ' TRP . 42.0 mttt -76.6 151.35 36.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.483 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.825 ' HB2' HD12 ' A' ' 582' ' ' LEU . 13.1 m-70 -144.93 -178.69 6.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.206 0.526 . . . . 0.0 111.639 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.25 130.66 5.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.156 179.643 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 580' ' ' VAL . 4.5 p -90.46 167.34 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -45.05 149.34 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.709 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.631 HD12 ' CD2' ' A' ' 632' ' ' TYR . 10.5 mm -84.38 125.33 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.51 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 602' ' ' THR . 6.9 mmpt? -92.5 75.14 5.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.546 ' HE3' ' CD1' ' A' ' 634' ' ' ILE . 28.3 mmtm -52.36 143.84 14.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.045 -179.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.423 ' N ' ' OD1' ' A' ' 577' ' ' ASP . 0.0 OUTLIER 32.16 74.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.883 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.814 HG21 ' HB3' ' A' ' 605' ' ' PRO . 3.0 t -178.09 145.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.877 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.1 mt -118.86 -12.58 9.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 38.7 m-80 -127.82 46.18 1.98 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.582 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.814 ' HB3' HG21 ' A' ' 602' ' ' THR . 71.1 Cg_endo -74.66 -178.89 4.37 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.969 2.446 . . . . 0.0 113.29 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 1.9 tt0 -127.25 118.15 23.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.401 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.598 ' CZ ' HG23 ' A' ' 580' ' ' VAL . 67.2 m-85 -85.28 -60.75 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.226 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 561' ' ' ILE . 13.0 t-20 53.82 46.47 25.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.029 0.443 . . . . 0.0 110.21 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.473 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 0.4 OUTLIER -107.39 127.89 53.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.235 -179.543 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.94 114.4 28.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.525 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.534 ' HB2' ' HB ' ' A' ' 559' ' ' VAL . 44.4 m-85 -95.61 174.45 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.288 0.566 . . . . 0.0 112.039 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.849 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.2 t80 -144.47 119.21 9.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.243 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.572 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.0 m-85 -100.56 151.91 21.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.655 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.45 67.6 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.217 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.888 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -131.89 142.32 43.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.677 179.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 619' ' ' ASP . 19.9 mtmt -72.37 129.96 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.267 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.586 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 47.0 t-80 -42.73 -47.22 5.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.142 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . 0.441 ' O ' ' HE2' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -54.68 -22.72 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -179.801 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.888 ' CB ' HD11 ' A' ' 615' ' ' ILE . 20.5 m-20 -101.09 -28.83 12.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.626 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.63 -67.54 0.14 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.687 179.564 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.817 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.86 -48.68 2.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.508 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.0 OUTLIER -66.46 -15.97 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -179.177 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 615' ' ' ILE . 5.8 mmpt? -76.72 173.78 11.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.11 0.481 . . . . 0.0 111.374 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.535 ' OG ' ' CG ' ' A' ' 585' ' ' LYS . 0.4 OUTLIER -150.38 109.42 3.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.043 178.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 646' ' ' LEU . 15.5 tp -79.81 149.79 30.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.875 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -132.04 95.05 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.008 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.442 HD11 HD23 ' A' ' 625' ' ' LEU . 2.8 mp -87.93 101.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.443 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.486 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 18.7 m -112.6 136.62 51.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.531 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.59 HG22 HG22 ' A' ' 580' ' ' VAL . 14.0 t -108.95 125.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.347 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.623 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.8 m95 -123.69 149.61 45.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.718 0.294 . . . . 0.0 111.735 -179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.53 ' CB ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -83.74 109.04 17.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.851 178.414 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.674 ' HE1' HG23 ' A' ' 634' ' ' ILE . 28.6 t80 -69.93 161.63 29.6 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.428 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.603 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 0.2 OUTLIER -160.16 130.39 5.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.47 179.838 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.674 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -89.49 134.06 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.989 0.423 . . . . 0.0 111.289 -179.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.66 -13.78 40.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.61 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.0 -168.89 2.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.958 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 15.0 m -81.05 -162.3 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -117.61 -164.1 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.027 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -158.19 138.17 12.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.207 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 9.3 t80 -79.51 121.2 24.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.884 0.374 . . . . 0.0 111.184 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.53 ' CD1' ' HB3' ' A' ' 578' ' ' PRO . 50.5 mt -96.9 -35.39 5.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.69 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.506 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 147.45 159.74 8.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.693 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -167.11 -165.04 23.85 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.404 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 1.1 m -161.83 178.51 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -124.6 142.67 51.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.756 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.851 HD11 ' NE2' ' A' ' 673' ' ' HIS . 12.0 mt -128.82 103.17 6.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.237 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -148.96 145.03 12.92 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.051 -0.595 . . . . 0.0 111.754 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.93 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.0 OUTLIER -57.36 -14.75 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 120.915 0.388 . . . . 0.0 111.568 -179.421 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 47.8 t -81.1 5.29 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.092 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -89.21 168.56 12.19 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.399 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 0.0 OUTLIER -143.5 132.86 23.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.641 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . 0.434 ' C ' ' HG2' ' A' ' 653' ' ' GLU . . . 127.83 -79.77 0.37 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.794 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.434 ' HG2' ' C ' ' A' ' 652' ' ' GLY . 0.9 OUTLIER -138.32 -40.68 0.52 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.525 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.66 -40.52 62.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.7 0.286 . . . . 0.0 111.076 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.854 HD12 ' HA ' ' A' ' 648' ' ' ILE . 24.9 tp -60.04 -35.52 75.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 110.565 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 660' ' ' GLU . 3.1 mtpp -63.31 -50.44 70.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.808 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.551 ' ND1' ' HG2' ' A' ' 671' ' ' ARG . 22.7 t-160 -65.69 -62.55 1.45 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.058 0.456 . . . . 0.0 110.267 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.4 t-105 -50.22 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.236 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.93 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -33.08 -64.0 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.737 -179.641 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.54 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.5 pt-20 -42.25 -31.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.472 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.673 ' HA ' HD11 ' A' ' 669' ' ' ILE . 76.1 m -57.35 -42.68 82.48 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.817 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.2 mp -60.6 -28.95 68.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.144 179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.542 ' HG2' ' N ' ' A' ' 664' ' ' ASN . 10.9 pttt -83.19 -47.02 12.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.979 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.542 ' N ' ' HG2' ' A' ' 663' ' ' LYS . 92.6 m-20 -106.19 58.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.488 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.586 ' HD3' ' CD2' ' A' ' 617' ' ' HIS . 0.5 OUTLIER -57.62 -73.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.165 -179.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -38.23 -27.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.779 -179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 549' ' ' MET . 0.0 OUTLIER -98.82 137.09 37.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 110.814 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.555 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.08 142.01 31.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 661' ' ' CYS . 0.2 OUTLIER -109.26 168.67 3.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.423 179.654 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.456 ' H ' HG22 ' A' ' 669' ' ' ILE . 0.6 OUTLIER -158.13 135.8 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.398 . . . . 0.0 111.201 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.551 ' HG2' ' ND1' ' A' ' 657' ' ' HIS . 0.0 OUTLIER -163.89 156.45 17.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.935 179.703 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.994 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.2 m95 -96.72 135.37 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.851 ' NE2' HD11 ' A' ' 646' ' ' LEU . 94.0 m-70 -115.31 130.17 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.63 111.99 13.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.617 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.506 HD22 ' O ' ' A' ' 642' ' ' GLY . 74.0 mt -59.28 136.12 57.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.261 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -126.52 162.06 26.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.655 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.27 70.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.17 -93.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -159.5 -41.31 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.864 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 566' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.834 0.349 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.602 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . -133.47 -178.25 15.46 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.763 -179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -126.6 137.97 53.39 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.61 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -116.6 126.66 74.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.077 0.465 . . . . 0.0 111.821 -179.458 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.926 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.5 tp -79.66 125.74 30.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.359 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . . . . . . . . . 54.2 t -123.21 140.62 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.365 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.642 ' HB2' HD11 ' A' ' 562' ' ' ILE . 37.4 t -116.93 143.86 45.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.239 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.493 ' HG ' ' NE2' ' A' ' 657' ' ' HIS . 81.7 mt -128.6 160.95 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.117 0.484 . . . . 0.0 111.787 -179.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.545 ' HG3' ' CA ' ' A' ' 668' ' ' LYS . 2.4 tmm? 175.95 107.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.127 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 54.9 t80 -83.25 130.9 35.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.494 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . 0.417 ' HB2' HD11 ' A' ' 558' ' ' ILE . 0.1 OUTLIER -104.19 90.61 3.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.854 179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.619 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.1 p -54.87 -38.07 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.956 0.408 . . . . 0.0 110.361 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.48 -46.27 56.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.66 -16.03 33.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.592 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.96 43.29 58.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.371 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.509 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -154.23 172.75 32.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.547 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.662 HD13 HD11 ' A' ' 620' ' ' LEU . 7.0 tp -102.36 134.33 45.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 111.06 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.833 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -105.03 116.86 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.209 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.638 ' CG1' HD21 ' A' ' 625' ' ' LEU . 1.5 t -98.41 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.038 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -136.66 107.32 0.6 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.94 -1.124 . . . . 0.0 113.704 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 0.98 HD11 HD21 ' A' ' 582' ' ' LEU . 12.4 mm -86.59 97.98 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.882 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.1 mp -75.98 -77.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.495 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.2 OUTLIER -155.66 170.24 22.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.058 0.456 . . . . 0.0 111.617 -179.064 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.576 ' SG ' HD11 ' A' ' 567' ' ' LEU . 2.4 p -127.53 158.73 36.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.08 179.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.9 m -143.22 144.37 23.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.228 0.537 . . . . 0.0 112.232 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.537 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 62.37 50.85 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.331 179.33 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.983 ' O ' HD13 ' A' ' 603' ' ' LEU . 10.9 mt -86.27 141.97 28.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.183 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -61.99 156.38 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.496 ' CB ' ' C ' ' A' ' 574' ' ' GLY . . . -112.28 115.55 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.493 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.3 mmt -83.85 -22.62 31.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.811 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.83 157.65 18.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.02 -2.9 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.49 -11.27 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.726 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.496 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.23 7.0 59.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.578 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.601 ' C ' HD21 ' A' ' 603' ' ' LEU . 2.8 m-85 -121.41 -168.8 1.74 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.867 0.365 . . . . 0.0 111.758 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.723 ' N ' HD21 ' A' ' 603' ' ' LEU . 1.2 m -158.74 -179.36 7.99 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.346 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.484 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 1.7 m-20 -126.55 56.95 18.6 Favored Pre-proline 0 C--N 1.33 -0.239 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.624 ' HG3' HD12 ' A' ' 567' ' ' LEU . 37.0 Cg_endo -66.89 144.97 72.85 Favored 'Trans proline' 0 C--O 1.231 0.129 0 C-N-CA 123.57 2.847 . . . . 0.0 115.539 -177.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.589 ' CE1' ' HB2' ' A' ' 630' ' ' TRP . 13.1 p90 -142.46 161.04 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.154 -1.385 . . . . 0.0 107.498 177.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 629' ' ' VAL . 16.7 t -113.58 137.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.581 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.0 mttp -116.19 133.06 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.641 178.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.98 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -119.78 136.35 54.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 111.512 -178.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.554 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 3.4 t90 -145.57 115.05 7.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.835 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 623' ' ' LYS . 13.2 tp -92.5 113.72 26.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.667 179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.707 ' HA ' ' N ' ' A' ' 587' ' ' ASP . 0.0 OUTLIER -116.61 160.28 37.01 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.332 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.495 ' O ' ' NZ ' ' A' ' 623' ' ' LYS . 53.3 Cg_endo -69.12 108.45 0.76 Allowed 'Cis proline' 0 C--N 1.349 0.578 0 C-N-CA 123.978 -1.259 . . . . 0.0 112.096 0.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.707 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 1.3 p-10 -55.28 140.61 38.63 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.551 -1.204 . . . . 0.0 111.673 -178.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -16.13 56.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.86 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . . . . . . . . . . . -147.51 -177.32 21.87 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.697 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -94.7 25.03 4.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -123.14 6.51 9.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 587' ' ' ASP . . . -62.58 -19.39 63.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.131 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -77.87 138.72 39.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.931 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.803 ' HB2' HD12 ' A' ' 582' ' ' LEU . 5.0 m-70 -132.61 178.65 6.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.164 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -160.48 128.9 4.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.387 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.612 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.5 p -87.9 168.83 12.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.996 0.426 . . . . 0.0 111.155 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -44.69 156.96 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.493 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.562 HG21 ' CG ' ' A' ' 632' ' ' TYR . 1.5 mm -89.83 125.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.478 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.595 ' HD3' ' CD1' ' A' ' 607' ' ' PHE . 0.0 OUTLIER -94.19 72.42 3.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 109.748 179.058 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.484 ' HD2' ' OD2' ' A' ' 577' ' ' ASP . 8.6 mmtp -57.97 148.99 24.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.011 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.477 ' O ' ' HB ' ' A' ' 602' ' ' THR . 2.4 mmtm 38.55 69.48 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.211 179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.775 HG21 ' HB3' ' A' ' 605' ' ' PRO . 2.9 t 179.09 142.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.835 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.983 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.9 mt -117.18 -11.73 10.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.535 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 9.4 m-80 -128.65 47.43 2.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.633 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.775 ' HB3' HG21 ' A' ' 602' ' ' THR . 98.7 Cg_endo -79.26 -177.08 3.63 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.872 2.381 . . . . 0.0 113.093 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.495 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 13.3 tt0 -132.07 114.84 15.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.287 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.885 ' HB2' HG22 ' A' ' 561' ' ' ILE . 67.6 m-85 -80.02 -50.34 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.488 -179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.515 ' N ' ' O ' ' A' ' 561' ' ' ILE . 9.4 p-10 46.15 50.32 11.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.989 0.423 . . . . 0.0 110.255 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.472 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.8 mm-40 -110.04 136.85 48.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.124 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -109.53 115.67 30.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.608 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.612 ' CE1' HG22 ' A' ' 596' ' ' THR . 38.9 m-85 -97.04 176.91 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.247 0.546 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.833 ' HD1' HD13 ' A' ' 558' ' ' ILE . 5.3 t80 -144.81 126.44 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.598 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.602 ' CE2' ' HB3' ' A' ' 584' ' ' LEU . 9.8 m-85 -108.71 155.36 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -111.51 61.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.909 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.897 HD11 ' CB ' ' A' ' 619' ' ' ASP . 1.1 tp -125.25 142.98 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -71.8 135.33 46.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.415 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 29.6 t-80 -46.69 -49.26 19.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.361 -179.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -12.19 8.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.608 -179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.897 ' CB ' HD11 ' A' ' 615' ' ' ILE . 5.1 m-20 -106.7 -27.07 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.61 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.662 HD11 HD13 ' A' ' 557' ' ' LEU . 0.2 OUTLIER -36.25 -67.76 0.16 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.379 179.328 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.839 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -41.87 -40.48 2.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.633 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -15.41 63.41 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.928 0.394 . . . . 0.0 111.111 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.898 ' HB2' HD11 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -90.22 179.92 5.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.711 -179.51 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 585' ' ' LYS . 0.7 OUTLIER -150.82 111.7 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.183 179.58 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.638 HD21 ' CG1' ' A' ' 559' ' ' VAL . 42.9 tp -79.46 114.0 18.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.039 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -98.04 105.27 17.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.373 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.594 HD11 HD12 ' A' ' 646' ' ' LEU . 3.2 mp -95.89 108.73 21.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.613 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.501 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 70.9 m -115.26 147.67 40.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 580' ' ' VAL . 17.2 t -123.23 120.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.649 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.589 ' HB2' ' CE1' ' A' ' 579' ' ' PHE . 37.7 m95 -119.14 144.46 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.516 -179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.773 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.41 114.06 21.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.031 0.444 . . . . 0.0 110.426 179.233 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.722 ' HE1' HG23 ' A' ' 634' ' ' ILE . 28.4 t80 -70.54 162.4 28.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.281 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.637 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 1.3 m-20 -160.0 126.28 4.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.718 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.722 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -87.69 135.3 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.883 0.373 . . . . 0.0 111.212 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.89 -15.39 32.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.666 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.23 -165.51 1.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.45 158.55 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.51 -164.08 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.487 ' HB2' ' HG3' ' A' ' 570' ' ' MET . 5.3 m-20 -160.25 141.05 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.594 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 6.2 t80 -80.0 123.87 28.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.208 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.773 HD11 ' HB2' ' A' ' 631' ' ' ASP . 27.2 mt -102.05 -36.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.482 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.604 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 144.67 160.06 8.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.61 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -153.94 -161.09 10.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.677 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.58 153.81 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.328 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.478 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 1.5 pt20 -106.72 137.8 44.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.016 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 1.074 HD11 ' NE2' ' A' ' 673' ' ' HIS . 13.4 mt -124.17 89.9 3.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -135.16 143.54 15.21 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.907 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.913 ' HA ' HD12 ' A' ' 655' ' ' LEU . 0.9 OUTLIER -57.36 -13.93 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 120.826 0.346 . . . . 0.0 111.848 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 38.9 t -88.49 15.62 7.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.036 0.446 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -94.85 -171.95 2.59 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.464 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.82 135.93 22.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.723 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 107.81 -106.75 2.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.569 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -106.35 -40.21 5.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.991 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.478 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.8 OUTLIER -45.81 -26.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 648' ' ' ILE . 20.2 tp -88.23 -42.42 12.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.092 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' A' ' 660' ' ' GLU . 42.1 mttt -55.49 -57.33 12.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.493 ' NE2' ' HG ' ' A' ' 548' ' ' LEU . 17.8 t-160 -59.56 -55.56 32.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 110.976 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.583 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 66.5 t-105 -59.01 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.278 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.827 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -40.1 -63.99 0.55 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.292 -179.533 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.545 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 7.7 pt-20 -43.41 -32.79 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.299 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.488 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 14.0 t -60.21 -38.65 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.658 179.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.839 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.6 OUTLIER -61.62 -28.97 69.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.059 179.013 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -39.76 25.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.872 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.551 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.5 m-20 -104.68 48.67 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.619 ' HD2' HG22 ' A' ' 552' ' ' THR . 21.8 mtmt -36.4 -86.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . 0.439 ' O ' ' SD ' ' A' ' 549' ' ' MET . 3.3 t0 -45.33 -24.67 0.31 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.551 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 2.0 mmmm -81.13 134.71 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.567 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.545 ' CA ' ' HG3' ' A' ' 549' ' ' MET . 0.0 OUTLIER -83.18 158.37 22.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.124 0.488 . . . . 0.0 111.501 -179.553 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.545 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.7 OUTLIER -139.18 155.97 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.41 179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.653 ' HG2' HD11 ' A' ' 562' ' ' ILE . 21.8 mt-10 -153.16 132.21 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 0.0 111.075 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.51 ' O ' HD12 ' A' ' 545' ' ' LEU . 2.4 mmt-85 -153.79 168.5 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.369 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.926 ' NE1' HD13 ' A' ' 545' ' ' LEU . 81.8 m95 -105.64 133.01 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.763 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 1.074 ' NE2' HD11 ' A' ' 646' ' ' LEU . 48.0 m-70 -115.43 129.02 56.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.3 115.1 16.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.602 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 642' ' ' GLY . 69.8 mt -58.59 134.47 56.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.417 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -126.87 160.13 31.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.6 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -100.81 74.96 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -49.32 -55.4 12.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -123.99 162.24 23.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.967 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.895 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -79.47 -157.24 12.19 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.668 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -124.75 138.6 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.616 0.246 . . . . 0.0 110.437 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.554 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -116.53 131.89 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.078 0.466 . . . . 0.0 111.695 -179.59 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.923 HD13 ' CE2' ' A' ' 672' ' ' TRP . 14.6 tp -86.87 121.49 29.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.481 HG21 HG21 ' A' ' 627' ' ' ILE . 55.7 t -121.68 132.67 70.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.727 ' HB3' HD11 ' A' ' 562' ' ' ILE . 82.6 p -113.58 122.07 46.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.475 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 658' ' ' TRP . 19.3 mt -95.73 165.82 12.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.069 0.461 . . . . 0.0 111.487 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.541 ' O ' ' CB ' ' A' ' 558' ' ' ILE . 1.3 ttp 173.61 119.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.065 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 617' ' ' HIS . 53.3 t80 -102.64 136.56 42.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.004 0.431 . . . . 0.0 111.245 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.9 97.14 6.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.744 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.551 HG22 ' HD3' ' A' ' 665' ' ' LYS . 0.9 OUTLIER -63.91 -34.71 78.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.122 0.487 . . . . 0.0 110.084 179.626 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.03 -42.45 28.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.052 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -97.23 -19.82 18.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.585 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 79.29 38.41 21.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.379 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.533 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -146.43 169.03 27.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.547 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.524 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 8.0 tp -95.78 159.0 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.756 0.312 . . . . 0.0 110.811 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.848 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.3 mm -129.02 118.53 46.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.725 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.914 HG11 HD22 ' A' ' 582' ' ' LEU . 11.3 t -106.03 120.59 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.755 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 547' ' ' SER . . . -107.56 123.16 7.09 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.278 -0.963 . . . . 0.0 113.433 -179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.041 HD11 HD21 ' A' ' 582' ' ' LEU . 11.8 mm -100.95 95.47 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.796 HD13 ' HG ' ' A' ' 545' ' ' LEU . 1.8 mp -72.09 -76.59 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 -178.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.502 ' HB2' ' HA ' ' A' ' 606' ' ' GLU . 0.1 OUTLIER -159.03 167.65 28.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.085 0.469 . . . . 0.0 111.914 -179.006 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.503 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.8 p -124.57 159.84 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.849 178.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.9 m -149.28 148.95 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.285 0.564 . . . . 0.0 112.482 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.523 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 63.71 44.29 5.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.49 179.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.55 HD12 ' HG3' ' A' ' 578' ' ' PRO . 36.8 mt -84.15 155.21 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.906 0.384 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -79.19 157.19 27.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.35 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.603 ' HB1' ' N ' ' A' ' 575' ' ' TYR . . . -119.76 108.85 14.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.669 ' HE1' HG12 ' A' ' 641' ' ' ILE . 2.3 mtm -87.21 -23.88 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.016 0.436 . . . . 0.0 110.689 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.91 157.78 29.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -76.41 1.88 15.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.27 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.47 -5.28 43.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.984 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.503 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 89.58 6.45 70.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.287 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.603 ' N ' ' HB1' ' A' ' 569' ' ' ALA . 2.8 m-85 -124.73 -169.24 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 111.866 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.608 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.4 OUTLIER -154.04 171.91 18.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.306 -179.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.538 ' CB ' ' HB3' ' A' ' 632' ' ' TYR . 2.5 m-20 -119.01 60.53 4.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.55 ' HG3' HD12 ' A' ' 567' ' ' LEU . 35.7 Cg_endo -66.69 143.16 66.8 Favored 'Trans proline' 0 CA--C 1.526 0.081 0 C-N-CA 123.41 2.74 . . . . 0.0 115.195 -177.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.617 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 23.0 p90 -143.55 160.67 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.263 -1.335 . . . . 0.0 108.068 177.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 596' ' ' THR . 19.7 t -112.92 131.23 65.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 119.956 -0.698 . . . . 0.0 112.754 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 594' ' ' HIS . 2.0 mttm -114.44 130.6 56.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.269 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.041 HD21 HD11 ' A' ' 561' ' ' ILE . 0.1 OUTLIER -116.24 140.66 49.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 111.827 -178.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.545 ' C ' ' CD1' ' A' ' 583' ' ' TRP . 4.8 t90 -148.61 114.39 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.117 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 623' ' ' LYS . 14.3 tp -91.21 120.28 32.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.586 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.57 ' HB3' ' HA ' ' A' ' 586' ' ' PRO . 2.3 mttp -103.6 179.89 0.88 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.341 -179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.576 ' O ' ' CB ' ' A' ' 587' ' ' ASP . 52.1 Cg_exo -53.05 -53.48 0.12 OUTLIER 'Cis proline' 0 C--N 1.348 0.545 0 C-N-CA 123.324 -1.532 . . . . 0.0 112.212 -0.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 586' ' ' PRO . 0.0 OUTLIER 152.14 129.69 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.155 179.032 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.78 -23.62 11.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.526 178.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.455 ' O ' ' OD2' ' A' ' 587' ' ' ASP . . . -154.71 -171.66 21.72 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.444 179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.502 ' C ' ' CD ' ' A' ' 590' ' ' LYS . 0.0 OUTLIER -95.93 5.05 52.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.965 0.383 . . . . 0.0 110.868 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . 0.49 ' HG3' ' HD3' ' A' ' 590' ' ' LYS . 0.4 OUTLIER -99.93 -7.06 25.68 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.035 179.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -49.43 -28.95 5.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 583' ' ' TRP . 8.0 mptt -76.06 164.38 26.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.59 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 5.6 m-70 -160.17 172.81 16.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.164 0.507 . . . . 0.0 111.905 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.491 ' HB2' ' HG2' ' A' ' 581' ' ' LYS . 0.0 OUTLIER -160.64 123.72 3.36 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.838 179.336 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.758 HG22 ' CE1' ' A' ' 611' ' ' PHE . 1.5 p -86.17 174.04 9.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.996 0.427 . . . . 0.0 111.406 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -47.3 141.67 4.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.676 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.696 HG21 ' CG ' ' A' ' 632' ' ' TYR . 2.8 mm -78.46 124.12 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.508 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.56 ' CD ' ' HB2' ' A' ' 605' ' ' PRO . 0.0 OUTLIER -93.25 71.39 4.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.869 179.127 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.526 ' HA ' ' CB ' ' A' ' 577' ' ' ASP . 0.2 OUTLIER -66.29 141.93 57.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.656 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.492 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 56.53 62.65 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.664 179.42 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.857 HG21 ' HB3' ' A' ' 605' ' ' PRO . 5.3 t 178.46 148.26 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.962 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.608 HD21 ' N ' ' A' ' 576' ' ' SER . 16.9 mt -118.53 -13.17 9.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.486 ' ND2' ' N ' ' A' ' 604' ' ' ASN . 0.0 OUTLIER -133.74 52.03 7.59 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.496 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.857 ' HB3' HG21 ' A' ' 602' ' ' THR . 74.0 Cg_endo -77.93 -172.91 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.945 2.43 . . . . 0.0 113.238 -179.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 563' ' ' ARG . 33.9 tt0 -131.27 119.32 21.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.367 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.792 ' HB2' HG22 ' A' ' 561' ' ' ILE . 69.3 m-85 -85.35 -53.41 5.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.395 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.7 OUTLIER 48.37 50.71 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.171 -179.316 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.48 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 1.2 mt-10 -110.91 139.88 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.224 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.63 108.86 18.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.507 179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.758 ' CE1' HG22 ' A' ' 596' ' ' THR . 29.8 m-85 -90.4 172.28 8.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.889 -179.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.848 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.3 t80 -142.9 121.17 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.526 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.595 ' CE2' ' CB ' ' A' ' 584' ' ' LEU . 6.8 m-85 -102.86 154.01 19.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.625 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -108.14 65.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.869 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.8 OUTLIER -131.79 143.91 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.667 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -75.13 134.55 41.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.801 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.581 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 43.0 t-80 -45.42 -44.04 11.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.92 -21.72 58.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.869 ' CB ' HD11 ' A' ' 615' ' ' ILE . 58.3 m-20 -102.36 -29.26 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.684 HD21 HG23 ' A' ' 615' ' ' ILE . 0.0 OUTLIER -34.56 -67.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.718 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.811 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -39.3 -52.19 2.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.686 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . 0.509 ' N ' ' HD3' ' A' ' 622' ' ' LYS . 0.3 OUTLIER -64.16 -15.62 60.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.263 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.742 ' HD2' HD13 ' A' ' 615' ' ' ILE . 0.2 OUTLIER -71.5 -179.57 2.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.659 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 54.3 p -154.9 104.63 2.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.316 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 646' ' ' LEU . 62.7 tp -80.42 122.26 26.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.21 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -108.04 97.37 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.688 ' H ' HD12 ' A' ' 627' ' ' ILE . 2.4 mp -91.72 112.03 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.512 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 10.3 m -124.66 139.47 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.037 0.446 . . . . 0.0 111.361 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.636 ' CG2' HD21 ' A' ' 675' ' ' LEU . 4.0 t -108.47 129.59 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.617 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 48.1 m95 -126.32 151.16 47.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.869 0.366 . . . . 0.0 111.259 -179.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.547 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.3 OUTLIER -87.92 133.21 33.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.132 0.491 . . . . 0.0 110.598 179.502 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.696 ' CG ' HG21 ' A' ' 598' ' ' ILE . 19.0 t80 -89.07 148.65 23.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.964 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.495 ' HB2' ' HB2' ' A' ' 636' ' ' LYS . 50.7 m-20 -155.18 106.27 2.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.041 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.563 ' H ' HD13 ' A' ' 634' ' ' ILE . 0.0 OUTLIER -48.95 128.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.211 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.75 -7.37 50.11 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.76 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . 0.495 ' HB2' ' HB2' ' A' ' 633' ' ' ASP . 5.1 mmtt -106.35 175.63 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 111.059 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 15.7 m -96.61 30.91 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.23 0.538 . . . . 0.0 110.957 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.477 ' OD1' ' HA ' ' A' ' 632' ' ' TYR . 90.7 m-20 62.0 -176.8 0.13 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 631' ' ' ASP . 2.9 m-20 -144.79 154.58 42.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.204 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.598 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.6 OUTLIER -93.19 119.35 32.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.69 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.669 HG12 ' HE1' ' A' ' 570' ' ' MET . 64.3 mt -99.36 -38.85 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.676 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 151.75 160.46 9.52 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.45 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -162.14 -168.36 23.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.664 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.03 12.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.703 0.287 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.487 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 3.5 pt20 -120.27 156.67 30.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.963 HD11 ' NE2' ' A' ' 673' ' ' HIS . 47.6 mt -146.76 94.3 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.154 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -138.08 137.71 9.02 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.985 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.2 tt -52.44 -19.03 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 120.825 0.345 . . . . 0.0 111.764 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 26.0 t -74.54 -1.85 23.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 0.0 110.334 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 654' ' ' ARG . . . -84.06 -168.58 2.21 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.405 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.59 135.87 21.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.756 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 96.12 -115.66 5.24 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.554 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.408 ' HA ' ' HG2' ' A' ' 656' ' ' LYS . 4.3 tt0 -79.84 -54.04 6.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.517 ' HB2' ' HB1' ' A' ' 650' ' ' ALA . 2.3 mmt85 -41.0 -29.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.457 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 648' ' ' ILE . 25.3 tp -89.93 -62.11 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.533 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 1.7 ptpt -42.42 -52.95 4.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.082 -179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.67 ' CD2' HG22 ' A' ' 669' ' ' ILE . 6.3 t-80 -63.61 -62.02 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.65 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.624 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 55.7 t-105 -55.13 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.993 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.985 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.5 OUTLIER -31.18 -57.67 0.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.939 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.788 ' HB3' HD12 ' A' ' 669' ' ' ILE . 25.3 mm-40 -38.03 -48.87 1.24 Allowed 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.165 0.507 . . . . 0.0 110.342 -179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 548' ' ' LEU . 33.6 t -43.31 -37.25 2.16 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.26 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.811 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.6 mp -71.4 -35.69 71.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.751 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.498 ' CD ' ' OE1' ' A' ' 660' ' ' GLU . 0.2 OUTLIER -79.38 -36.66 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.938 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.566 ' CB ' ' HB2' ' A' ' 667' ' ' LYS . 1.6 m-20 -108.66 48.95 0.83 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.826 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 3.4 mtmt -36.22 -81.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.009 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -50.92 -20.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.214 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.566 ' HB2' ' CB ' ' A' ' 664' ' ' ASN . 3.0 mmtt -88.16 158.29 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.779 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.473 ' HA ' ' HG3' ' A' ' 549' ' ' MET . 0.1 OUTLIER -105.06 143.85 32.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.091 0.472 . . . . 0.0 111.671 -179.436 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.2 mm -123.66 92.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.113 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 10.3 pm0 -103.58 133.67 48.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.173 0.511 . . . . 0.0 111.819 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 545' ' ' LEU . 15.5 mmt180 -152.25 178.84 9.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.208 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.923 ' CE2' HD13 ' A' ' 545' ' ' LEU . 87.6 m95 -110.64 131.94 54.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.02 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.963 ' NE2' HD11 ' A' ' 646' ' ' LEU . 4.4 m-70 -115.41 129.68 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -76.33 102.23 5.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.676 HD22 ' O ' ' A' ' 642' ' ' GLY . 88.2 mt -45.33 130.45 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.214 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.466 ' O ' ' HA2' ' A' ' 642' ' ' GLY . 66.9 mt-30 -119.64 174.41 6.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.635 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -106.39 102.57 11.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.24 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.998 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.98 138.42 11.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.797 0.332 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 566' ' ' HIS . . . -77.62 -162.24 17.31 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.727 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -124.29 143.42 50.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.515 HG23 HG23 ' A' ' 546' ' ' VAL . 0.0 OUTLIER -120.16 128.12 75.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.055 0.455 . . . . 0.0 112.006 -179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.961 HD13 ' NE1' ' A' ' 672' ' ' TRP . 17.3 tp -79.53 116.07 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.515 HG23 HG23 ' A' ' 544' ' ' ILE . 64.2 t -117.26 129.79 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.726 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' A' ' 669' ' ' ILE . 0.6 OUTLIER -106.8 147.86 29.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.109 179.187 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.485 ' HB3' ' SG ' ' A' ' 661' ' ' CYS . 26.2 mt -130.06 161.77 30.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.081 0.467 . . . . 0.0 111.728 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 558' ' ' ILE . 13.5 ttp 174.85 133.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.099 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.525 ' CE1' ' C ' ' A' ' 556' ' ' GLY . 48.0 t80 -109.85 132.53 54.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.032 0.444 . . . . 0.0 111.44 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.25 79.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.891 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.55 HG22 ' HD3' ' A' ' 665' ' ' LYS . 1.3 p -45.89 -41.41 11.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.003 0.43 . . . . 0.0 110.202 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.27 -46.11 54.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.136 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.64 -19.26 33.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.436 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 76.07 39.42 32.48 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.357 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.525 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.64 168.25 33.75 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.743 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 558' ' ' ILE . 10.1 tp -93.67 161.6 14.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.751 0.31 . . . . 0.0 110.595 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.847 HD13 ' HD1' ' A' ' 612' ' ' PHE . 1.2 mm -129.96 119.2 46.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.964 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.639 HG21 ' CE1' ' A' ' 613' ' ' TYR . 1.7 t -107.01 120.47 58.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.639 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -106.32 109.63 3.17 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.46 -0.876 . . . . 0.0 113.376 -179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 0.918 HG21 HG21 ' A' ' 596' ' ' THR . 3.7 mm -87.92 98.01 7.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.844 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.0 mp -75.5 -78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.299 -0.41 . . . . 0.0 112.066 -178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.48 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 0.0 OUTLIER -158.7 170.83 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.42 . . . . 0.0 112.042 -178.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.712 ' SG ' HD11 ' A' ' 567' ' ' LEU . 1.8 p -128.42 160.55 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.947 179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.78 150.07 14.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.53 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 60.95 43.34 11.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.507 179.233 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.712 HD11 ' SG ' ' A' ' 564' ' ' CYS . 66.3 mt -81.48 162.8 23.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -81.68 163.32 22.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 575' ' ' TYR . . . -116.41 118.46 32.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.051 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.492 ' CG ' ' CG ' ' A' ' 631' ' ' ASP . 9.9 mmt -84.28 -21.33 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.75 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -91.42 159.07 16.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.104 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -73.71 -1.35 18.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.07 -12.47 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.719 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.495 ' C ' ' CB ' ' A' ' 569' ' ' ALA . . . 95.6 4.81 60.47 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.578 ' CD2' ' HA ' ' A' ' 602' ' ' THR . 2.8 m-85 -121.62 -169.39 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 111.874 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.567 ' N ' HD21 ' A' ' 603' ' ' LEU . 0.8 OUTLIER -159.55 176.91 11.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.452 -179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 600' ' ' LYS . 2.6 m-20 -119.92 57.17 4.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.545 ' HA ' ' O ' ' A' ' 630' ' ' TRP . 29.8 Cg_endo -64.63 138.51 59.39 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 123.318 2.679 . . . . 0.0 115.342 -177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 10.0 p90 -137.7 162.44 33.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.125 -1.398 . . . . 0.0 107.364 176.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.519 HG23 ' CE2' ' A' ' 607' ' ' PHE . 20.4 t -113.5 129.26 69.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 119.733 -0.787 . . . . 0.0 112.599 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.579 ' HE3' ' CD1' ' A' ' 630' ' ' TRP . 3.3 mttp -111.61 130.07 55.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.913 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 0.854 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -121.75 136.34 54.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 0.0 111.695 -179.088 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 593' ' ' LYS . 3.3 t90 -142.78 119.37 11.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.672 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 623' ' ' LYS . 19.1 tp -90.63 110.86 22.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.977 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.452 ' HG3' ' OG ' ' A' ' 624' ' ' SER . 1.8 mttp -89.9 157.91 45.4 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.747 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.502 ' O ' ' C ' ' A' ' 587' ' ' ASP . 72.3 Cg_endo -89.91 108.21 0.87 Allowed 'Cis proline' 0 N--CA 1.451 -1.014 0 C-N-CA 123.359 -1.517 . . . . 0.0 112.055 -0.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 587' ' ' ASP . 10.2 p-10 -13.25 111.24 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.277 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . 0.414 ' HE1' HD23 ' A' ' 584' ' ' LEU . 0.0 OUTLIER -108.28 -27.39 10.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.701 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -113.43 -11.73 12.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.404 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 31.6 mttm 86.15 -33.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.583 0.23 . . . . 0.0 111.153 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -85.03 11.03 10.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.947 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 583' ' ' TRP . . . -57.5 -23.98 53.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 583' ' ' TRP . 2.8 mmtp -69.61 155.41 40.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.676 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 611' ' ' PHE . 7.5 m-70 -156.62 170.2 22.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.033 0.444 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 580' ' ' VAL . 0.0 OUTLIER -161.07 119.0 2.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.401 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.918 HG21 HG21 ' A' ' 561' ' ' ILE . 19.4 p -69.61 176.52 3.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.869 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -63.42 146.54 53.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.228 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.665 HG21 ' CG ' ' A' ' 632' ' ' TYR . 4.3 mm -78.35 122.55 33.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.971 ' O ' HG22 ' A' ' 602' ' ' THR . 3.6 mmpt? -94.97 62.73 2.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.288 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 632' ' ' TYR . 31.5 mmtm -35.02 146.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.2 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.497 ' HD2' ' HB3' ' A' ' 600' ' ' LYS . 0.0 OUTLIER 35.95 79.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.392 179.094 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.971 HG22 ' O ' ' A' ' 599' ' ' LYS . 3.0 t 177.77 144.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.078 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 567' ' ' LEU . 9.7 mt -117.7 -12.23 10.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.4 OUTLIER -133.47 51.73 7.26 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.594 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.821 ' HB3' HG21 ' A' ' 602' ' ' THR . 97.0 Cg_endo -78.65 177.16 9.06 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.918 2.412 . . . . 0.0 113.277 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.48 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 29.8 tt0 -125.58 112.56 16.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.264 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 562' ' ' ILE . 58.3 m-85 -79.91 -58.1 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.354 -179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 561' ' ' ILE . 26.3 t-20 54.2 47.34 23.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.096 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.442 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 4.5 mm-40 -106.86 136.34 46.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.295 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.95 108.33 19.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.461 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 558' ' ' ILE . 21.1 m-85 -90.13 172.05 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.985 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.847 ' HD1' HD13 ' A' ' 558' ' ' ILE . 4.5 t80 -144.77 122.79 12.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.625 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.639 ' CE1' HG21 ' A' ' 559' ' ' VAL . 8.2 m-85 -104.44 149.74 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 614' ' ' ASP . 3.8 p-10 -104.93 51.16 0.77 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.773 -179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.904 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -115.18 142.59 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.939 0.4 . . . . 0.0 110.741 179.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -72.66 139.23 47.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.573 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.59 ' CE1' ' HE2' ' A' ' 665' ' ' LYS . 50.9 t-80 -49.13 -47.16 45.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 1.3 m -59.5 -13.44 8.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.368 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.904 ' CB ' HD11 ' A' ' 615' ' ' ILE . 18.4 m-20 -108.53 -30.17 8.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 110.788 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.59 ' CD2' HG23 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.08 -65.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.735 179.73 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.844 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -38.17 -55.26 1.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.648 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.18 52.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.303 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.757 ' HD2' HD13 ' A' ' 615' ' ' ILE . 10.8 mmpt? -69.76 -178.58 1.55 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.148 0.499 . . . . 0.0 111.161 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.452 ' OG ' ' HG3' ' A' ' 585' ' ' LYS . 52.4 p -158.19 103.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.185 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 646' ' ' LEU . 57.1 tp -80.93 123.28 28.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.191 -179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -109.25 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.716 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 646' ' ' LEU . 1.4 mp -91.01 104.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.518 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 0.3 OUTLIER -118.27 145.0 45.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.353 -179.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.607 ' CG2' HD21 ' A' ' 675' ' ' LEU . 6.1 t -111.58 127.04 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.743 179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.603 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 31.7 m95 -121.77 147.14 46.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.607 ' HB2' HD11 ' A' ' 641' ' ' ILE . 0.0 OUTLIER -84.33 114.66 22.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.983 0.42 . . . . 0.0 109.9 178.754 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.665 ' CG ' HG21 ' A' ' 598' ' ' ILE . 40.3 t80 -75.74 162.1 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.444 -179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.571 ' N ' ' CD1' ' A' ' 632' ' ' TYR . 37.8 m-20 -160.52 125.13 3.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.798 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.664 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -82.72 134.07 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.13 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 91.59 -17.93 54.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.797 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.36 -166.42 1.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.359 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 633' ' ' ASP . 0.5 OUTLIER -79.8 -167.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.879 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.423 ' C ' ' OD1' ' A' ' 639' ' ' ASP . 4.5 m120 -107.19 -168.62 1.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.5 m-20 -152.58 141.37 21.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.751 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 630' ' ' TRP . 0.7 OUTLIER -85.59 118.1 24.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.046 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.607 HD11 ' HB2' ' A' ' 631' ' ' ASP . 61.4 mt -93.89 -39.87 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.762 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.719 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 154.23 159.68 9.35 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.145 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.518 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.72 -170.57 23.49 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.894 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.75 173.07 14.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.759 0.314 . . . . 0.0 110.738 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . 0.483 ' O ' ' HD2' ' A' ' 654' ' ' ARG . 14.1 pt20 -122.95 146.07 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 0.764 HD11 ' NE2' ' A' ' 673' ' ' HIS . 19.3 mt -138.41 93.94 2.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.301 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -141.31 136.31 7.39 Favored Glycine 0 N--CA 1.45 -0.378 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.907 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.2 tt -51.67 -19.3 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-O 120.798 0.332 . . . . 0.0 111.589 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 46.8 t -73.46 -3.75 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.255 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . 0.482 ' O ' ' HG3' ' A' ' 651' ' ' LYS . . . -81.9 -167.66 1.62 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 650' ' ' ALA . 14.3 mtpt -157.13 131.07 8.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 114.15 -106.17 1.67 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.441 ' HG3' ' HE3' ' A' ' 656' ' ' LYS . 24.6 mp0 -97.7 -47.44 5.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.966 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 645' ' ' GLN . 0.0 OUTLIER -47.79 -29.19 2.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 648' ' ' ILE . 22.0 tp -82.53 -46.47 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.56 ' CG ' ' N ' ' A' ' 657' ' ' HIS . 5.4 ptpt -54.21 -55.67 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.56 ' N ' ' CG ' ' A' ' 656' ' ' LYS . 19.6 t-160 -60.43 -58.19 9.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.109 0.48 . . . . 0.0 110.611 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.571 ' CD1' ' N ' ' A' ' 648' ' ' ILE . 67.6 t-105 -59.71 -80.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.907 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.8 OUTLIER -37.45 -65.98 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.32 -179.36 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 669' ' ' ILE . 4.6 pt-20 -43.4 -31.67 0.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.204 -178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 658' ' ' TRP . 18.7 t -58.97 -41.3 87.23 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.844 HD21 ' H ' ' A' ' 621' ' ' ALA . 0.5 OUTLIER -58.68 -36.23 73.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.928 178.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 660' ' ' GLU . 11.8 mtmt -79.98 -45.25 18.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.372 179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 667' ' ' LYS . 30.6 m-20 -96.6 56.87 1.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.311 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.59 ' HE2' ' CE1' ' A' ' 617' ' ' HIS . 2.9 mttt -52.5 -88.91 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.788 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -36.53 -28.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.817 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 1.3 mmtp -80.99 128.55 33.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.399 . . . . 0.0 110.885 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 668' ' ' LYS . 0.5 OUTLIER -81.18 125.9 30.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.661 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 660' ' ' GLU . 0.9 OUTLIER -106.13 152.67 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.79 179.576 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 547' ' ' SER . 0.1 OUTLIER -151.88 147.59 26.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 111.142 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.548 ' HD2' ' CE1' ' A' ' 673' ' ' HIS . 0.0 OUTLIER -169.54 156.3 6.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.886 179.789 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.961 ' NE1' HD13 ' A' ' 545' ' ' LEU . 86.0 m95 -91.9 131.96 36.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.32 -179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 0.764 ' NE2' HD11 ' A' ' 646' ' ' LEU . 86.5 m-70 -113.06 130.01 56.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.867 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 676' ' ' GLN . 5.8 pm0 -77.32 103.25 7.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.688 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 642' ' ' GLY . 85.8 mt -45.86 129.63 9.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.356 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 674' ' ' GLN . 63.6 mt-30 -125.87 160.32 30.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.826 179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -101.75 101.04 11.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . 0.443 ' HA ' ' OE1' ' A' ' 678' ' ' GLU . 6.1 mm-40 -56.91 -90.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.028 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 680' ' ' HIS . 5.8 p-10 -97.73 -7.51 30.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.045 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . 0.484 ' CB ' ' O ' ' A' ' 679' ' ' ASN . 18.0 m80 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 567' ' ' LEU . 13.1 mtp180 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.782 0.325 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' GLY . . . . . 0.585 ' HA3' HD23 ' A' ' 567' ' ' LEU . . . 111.71 174.14 19.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.8 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 564' ' ' CYS . 11.1 mtmt -133.09 142.89 48.96 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' ILE . . . . . 0.573 HD11 HG23 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -117.79 124.98 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.989 0.423 . . . . 0.0 111.567 -179.716 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' LEU . . . . . 0.938 ' HG ' HD13 ' A' ' 562' ' ' ILE . 19.8 tp -79.81 123.54 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.648 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.407 HG21 HG21 ' A' ' 627' ' ' ILE . 65.2 t -123.08 138.6 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' SER . . . . . 0.495 ' HB2' ' HG3' ' A' ' 670' ' ' GLU . 0.0 OUTLIER -116.03 126.78 54.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.389 179.86 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 658' ' ' TRP . 12.1 mt -105.94 152.25 23.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.973 0.416 . . . . 0.0 111.194 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.528 ' O ' ' CG1' ' A' ' 558' ' ' ILE . 3.0 ttp -173.59 124.82 0.38 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' TYR . . . . . 0.521 ' CD2' ' HG2' ' A' ' 665' ' ' LYS . 44.5 t80 -103.78 131.63 50.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 0.0 111.138 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.64 82.83 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' THR . . . . . 0.614 HG22 ' HD2' ' A' ' 665' ' ' LYS . 1.3 p -47.02 -40.91 15.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.012 0.434 . . . . 0.0 110.157 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -49.54 52.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.727 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -17.72 51.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.286 179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 72.54 40.79 53.24 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.408 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' GLY . . . . . 0.512 ' C ' ' CE1' ' A' ' 550' ' ' TYR . . . -156.5 176.89 33.73 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.59 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' LEU . . . . . 0.522 ' HG ' ' N ' ' A' ' 558' ' ' ILE . 9.7 tp -100.36 158.68 15.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.808 0.337 . . . . 0.0 110.686 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.849 HD13 ' CD1' ' A' ' 612' ' ' PHE . 1.1 mm -127.68 121.25 56.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' VAL . . . . . 0.504 ' HB ' ' HB2' ' A' ' 611' ' ' PHE . 2.2 t -108.29 124.89 64.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.621 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 609' ' ' GLU . . . -115.04 119.35 4.6 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.167 -1.016 . . . . 0.0 113.559 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' ILE . . . . . 1.091 HD11 HD21 ' A' ' 582' ' ' LEU . 38.5 mm -95.8 99.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.938 HD13 ' HG ' ' A' ' 545' ' ' LEU . 2.9 mp -77.64 -75.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' ARG . . . . . 0.534 ' CB ' ' HA ' ' A' ' 606' ' ' GLU . 1.0 OUTLIER -159.73 166.24 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.121 0.486 . . . . 0.0 111.926 -178.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' CYS . . . . . 0.506 ' SG ' HD11 ' A' ' 567' ' ' LEU . 0.8 OUTLIER -122.0 161.31 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.847 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.27 145.14 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.276 0.56 . . . . 0.0 112.361 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' HIS . . . . . 0.521 ' O ' ' CA ' ' A' ' 542' ' ' GLY . 0.1 OUTLIER 67.74 45.54 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.403 179.409 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' LEU . . . . . 0.715 ' O ' HD13 ' A' ' 603' ' ' LEU . 33.3 mt -85.38 146.14 27.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 179.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' ALA . . . . . 0.558 ' O ' HD22 ' A' ' 603' ' ' LEU . . . -67.99 166.6 15.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.174 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . 0.508 ' HB1' ' C ' ' A' ' 574' ' ' GLY . . . -110.06 120.32 42.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.679 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' MET . . . . . 0.546 ' N ' ' SD ' ' A' ' 570' ' ' MET . 0.1 OUTLIER -93.15 -18.9 22.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.355 -179.065 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -97.23 161.45 13.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.223 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' ALA . . . . . . . . . . . . . . . -70.62 -8.46 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.01 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -82.33 -9.35 59.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' GLY . . . . . 0.508 ' C ' ' HB1' ' A' ' 569' ' ' ALA . . . 92.98 15.42 52.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.643 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' TYR . . . . . 0.592 ' C ' HD21 ' A' ' 603' ' ' LEU . 3.0 m-85 -126.46 -169.7 2.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.411 . . . . 0.0 111.816 -179.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' SER . . . . . 0.581 ' N ' HD21 ' A' ' 603' ' ' LEU . 22.3 m -151.76 -179.71 7.68 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.911 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' ASP . . . . . 0.532 ' CB ' ' HA ' ' A' ' 600' ' ' LYS . 7.1 m-20 -130.79 59.22 44.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.39 0.614 . . . . 0.0 109.451 179.068 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' PRO . . . . . 0.788 ' HB3' HD12 ' A' ' 641' ' ' ILE . 38.2 Cg_endo -68.61 150.03 74.44 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.521 2.814 . . . . 0.0 115.5 -177.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' PHE . . . . . 0.611 ' CZ ' ' HB2' ' A' ' 630' ' ' TRP . 19.7 p90 -147.09 160.88 41.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 113.915 -1.493 . . . . 0.0 107.687 177.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 629' ' ' VAL . 22.7 t -115.31 133.18 62.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 119.885 -0.726 . . . . 0.0 112.759 -178.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 579' ' ' PHE . 0.2 OUTLIER -115.6 132.96 56.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.477 178.726 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' LEU . . . . . 1.091 HD21 HD11 ' A' ' 561' ' ' ILE . 0.0 OUTLIER -120.36 139.8 52.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.065 0.46 . . . . 0.0 111.829 -178.651 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' TRP . . . . . 0.562 ' CZ2' ' HG2' ' A' ' 585' ' ' LYS . 4.6 t90 -149.55 119.27 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.948 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' LEU . . . . . 0.612 ' HB2' ' CE2' ' A' ' 613' ' ' TYR . 21.5 tp -92.92 107.16 19.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' LYS . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 583' ' ' TRP . 1.7 mtpp -89.03 156.63 49.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.948 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' PRO . . . . . 0.563 ' HD2' ' NZ ' ' A' ' 623' ' ' LYS . 2.4 Cg_endo -82.81 110.33 1.84 Allowed 'Cis proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.842 -1.316 . . . . 0.0 111.89 -0.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' ASP . . . . . 0.462 ' N ' ' HA ' ' A' ' 585' ' ' LYS . 2.0 p-10 -25.28 119.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.695 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -32.37 16.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 590' ' ' LYS . . . -119.74 -6.75 10.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 589' ' ' GLY . 4.8 tttp 87.79 -31.84 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.758 0.313 . . . . 0.0 111.06 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -83.91 10.93 8.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' ALA . . . . . . . . . . . . . . . -59.49 -19.17 45.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.142 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.532 ' HE3' ' CE3' ' A' ' 583' ' ' TRP . 9.2 mttp -75.67 151.7 37.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.823 ' HB2' HD12 ' A' ' 582' ' ' LEU . 18.9 m-70 -145.18 176.95 9.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.472 ' CD ' ' O ' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -160.78 119.68 2.59 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.104 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 580' ' ' VAL . 5.2 p -78.48 161.83 26.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.911 0.386 . . . . 0.0 110.895 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.7 155.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.791 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ILE . . . . . 0.655 HD12 ' CD2' ' A' ' 632' ' ' TYR . 1.0 OUTLIER -87.0 126.74 40.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.631 179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' LYS . . . . . 0.922 ' O ' HG22 ' A' ' 602' ' ' THR . 0.0 OUTLIER -96.82 36.68 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.239 0.542 . . . . 0.0 110.289 179.311 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.571 ' HD3' ' CD1' ' A' ' 632' ' ' TYR . 3.8 mttp -28.7 140.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.156 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' LYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 602' ' ' THR . 0.1 OUTLIER 68.34 58.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.091 179.092 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' THR . . . . . 0.922 HG22 ' O ' ' A' ' 599' ' ' LYS . 6.3 t 178.88 148.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.017 0.437 . . . . 0.0 111.624 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 567' ' ' LEU . 15.2 mt -116.18 -12.79 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.754 179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.443 ' N ' ' CD ' ' A' ' 605' ' ' PRO . 0.1 OUTLIER -134.35 52.94 8.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.715 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.89 ' HB3' HG21 ' A' ' 602' ' ' THR . 83.0 Cg_endo -79.25 176.84 9.28 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.031 2.487 . . . . 0.0 113.322 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' GLU . . . . . 0.534 ' HA ' ' CB ' ' A' ' 563' ' ' ARG . 0.0 OUTLIER -128.58 115.36 17.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.12 179.235 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' PHE . . . . . 0.682 ' HB2' HG22 ' A' ' 561' ' ' ILE . 73.3 m-85 -79.72 -49.32 12.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.452 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 561' ' ' ILE . 0.6 OUTLIER 49.42 50.17 18.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.002 0.429 . . . . 0.0 110.02 -179.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' GLU . . . . . 0.451 ' O ' ' HA2' ' A' ' 560' ' ' GLY . 5.2 mt-10 -109.24 136.22 49.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.192 -179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -110.1 111.45 22.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.74 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 558' ' ' ILE . 45.3 m-85 -95.51 174.1 7.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.628 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' PHE . . . . . 0.849 ' CD1' HD13 ' A' ' 558' ' ' ILE . 5.5 t80 -145.08 117.0 8.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' TYR . . . . . 0.612 ' CE2' ' HB2' ' A' ' 584' ' ' LEU . 4.6 m-85 -99.22 149.07 23.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.559 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.4 69.85 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' ILE . . . . . 0.891 HD11 ' CB ' ' A' ' 619' ' ' ASP . 0.9 OUTLIER -128.62 145.4 35.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' LYS . . . . . 0.413 ' N ' HG13 ' A' ' 615' ' ' ILE . 1.2 mtpt -75.03 131.95 40.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . 0.581 ' CD2' ' HD3' ' A' ' 665' ' ' LYS . 46.9 t-80 -43.49 -49.52 7.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.21 -15.02 8.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.306 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' ASP . . . . . 0.891 ' CB ' HD11 ' A' ' 615' ' ' ILE . 0.9 OUTLIER -105.54 -28.25 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.623 179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . 0.599 HD23 ' CG1' ' A' ' 615' ' ' ILE . 0.1 OUTLIER -35.76 -68.68 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.698 179.489 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' ALA . . . . . 0.835 ' H ' HD21 ' A' ' 662' ' ' LEU . . . -37.26 -49.88 0.97 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.002 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -18.35 65.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.598 -178.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' LYS . . . . . 0.755 ' HE3' HD13 ' A' ' 615' ' ' ILE . 0.1 OUTLIER -69.92 -174.89 0.82 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.054 0.454 . . . . 0.0 111.403 -179.564 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.433 ' C ' HD12 ' A' ' 584' ' ' LEU . 25.9 p -160.05 104.5 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.614 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.488 HD21 ' CG1' ' A' ' 559' ' ' VAL . 54.6 tp -79.97 118.85 22.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.884 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -104.66 96.99 6.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.612 ' H ' HD12 ' A' ' 627' ' ' ILE . 3.4 mp -91.87 104.11 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.561 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' SER . . . . . 0.519 ' HA ' ' HA3' ' A' ' 643' ' ' GLY . 51.6 p -115.73 135.79 53.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.151 0.5 . . . . 0.0 111.815 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' VAL . . . . . 0.712 HG22 HG22 ' A' ' 580' ' ' VAL . 20.2 t -107.88 121.78 61.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.161 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' TRP . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 579' ' ' PHE . 34.4 m95 -121.23 152.32 38.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.859 0.362 . . . . 0.0 111.37 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' ASP . . . . . 0.584 ' HB2' HD11 ' A' ' 641' ' ' ILE . 1.0 OUTLIER -86.58 135.77 33.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.027 179.04 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' TYR . . . . . 0.655 ' CD2' HD12 ' A' ' 598' ' ' ILE . 32.0 t80 -98.09 158.03 15.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.987 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 632' ' ' TYR . 74.1 m-20 -155.61 125.4 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' ILE . . . . . 0.596 HG23 ' HE1' ' A' ' 632' ' ' TYR . 0.0 OUTLIER -77.91 139.46 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.72 -7.49 49.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.608 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.41 -174.53 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.758 0.313 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 7.8 m -80.45 -178.35 6.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -93.67 -173.52 3.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 631' ' ' ASP . 1.6 m-20 -147.26 149.32 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' TYR . . . . . 0.584 ' CD2' ' CH2' ' A' ' 630' ' ' TRP . 0.5 OUTLIER -87.05 117.46 25.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' ILE . . . . . 0.788 HD12 ' HB3' ' A' ' 578' ' ' PRO . 9.2 mt -95.4 -42.64 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.679 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . 0.605 ' O ' HD22 ' A' ' 675' ' ' LEU . . . 150.76 158.05 8.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.534 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 628' ' ' SER . . . -158.02 -160.79 10.47 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.778 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.9 154.76 18.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.756 0.312 . . . . 0.0 110.818 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.53 136.49 40.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' LEU . . . . . 1.062 HD11 ' NE2' ' A' ' 673' ' ' HIS . 10.5 mt -126.61 93.91 3.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.082 0.468 . . . . 0.0 111.475 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -142.67 142.2 11.35 Favored Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' ILE . . . . . 0.959 HD11 ' CE2' ' A' ' 659' ' ' TYR . 1.4 tt -55.35 -16.97 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 120.91 0.386 . . . . 0.0 111.49 -179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' SER . . . . . . . . . . . . . 8.2 t -80.14 4.02 18.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.001 0.429 . . . . 0.0 109.957 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' ALA . . . . . . . . . . . . . . . -84.53 169.69 14.21 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.325 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.25 134.28 19.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.557 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . 127.62 -62.47 0.63 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.535 -0.841 . . . . 0.0 112.87 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 654' ' ' ARG . 9.3 pt-20 -157.95 -40.18 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.768 0.284 . . . . 0.0 111.668 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' ARG . . . . . 0.522 ' HB3' HD23 ' A' ' 646' ' ' LEU . 1.2 mtm-85 -51.6 -39.41 57.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.785 0.326 . . . . 0.0 111.065 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 648' ' ' ILE . 26.3 tp -57.83 -40.94 81.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 660' ' ' GLU . 25.2 mttm -59.25 -43.67 92.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.979 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' HIS . . . . . 0.511 ' NE2' ' O ' ' A' ' 669' ' ' ILE . 10.4 t-160 -73.86 -67.67 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.407 . . . . 0.0 110.69 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' TRP . . . . . 0.662 ' HA ' HD12 ' A' ' 548' ' ' LEU . 52.8 t-105 -43.92 -78.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.54 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' TYR . . . . . 0.959 ' CE2' HD11 ' A' ' 648' ' ' ILE . 0.4 OUTLIER -36.12 -54.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.398 179.545 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' GLU . . . . . 0.873 ' HB3' HD12 ' A' ' 669' ' ' ILE . 1.0 OUTLIER -38.47 -44.26 0.92 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.086 0.47 . . . . 0.0 110.449 -179.369 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' CYS . . . . . 0.455 ' SG ' ' CD1' ' A' ' 557' ' ' LEU . 45.6 t -49.36 -37.17 23.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.472 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.835 HD21 ' H ' ' A' ' 621' ' ' ALA . 1.8 mp -68.11 -40.5 82.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.085 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . 0.455 ' HD3' ' OE1' ' A' ' 660' ' ' GLU . 0.0 OUTLIER -79.49 -33.89 41.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.353 0.597 . . . . 0.0 109.662 179.614 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.614 ' HB2' HD11 ' A' ' 669' ' ' ILE . 9.8 m-80 -109.5 45.21 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.676 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' LYS . . . . . 0.614 ' HD2' HG22 ' A' ' 552' ' ' THR . 3.9 mtmt -35.61 -92.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 666' ' ' ASP . 0.5 OUTLIER -42.7 -27.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.086 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' LYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 664' ' ' ASN . 0.9 OUTLIER -79.9 150.04 30.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.942 -179.845 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 548' ' ' LEU . 2.4 mtpt -90.17 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.693 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ILE . . . . . 0.873 HD12 ' HB3' ' A' ' 660' ' ' GLU . 1.1 mm -139.09 98.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.076 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' GLU . . . . . 0.495 ' HG3' ' HB2' ' A' ' 547' ' ' SER . 0.8 OUTLIER -102.85 133.27 48.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 111.424 -179.249 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . 0.498 ' HB2' ' ND1' ' A' ' 657' ' ' HIS . 1.5 mmm180 -153.56 162.08 41.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.171 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' TRP . . . . . 0.803 ' NE1' HD13 ' A' ' 545' ' ' LEU . 90.2 m95 -101.89 130.49 48.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.632 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' HIS . . . . . 1.062 ' NE2' HD11 ' A' ' 646' ' ' LEU . 33.1 m-70 -113.71 129.47 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.068 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.54 117.52 15.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.076 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.605 HD22 ' O ' ' A' ' 642' ' ' GLY . 83.7 mt -63.87 128.9 37.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.208 0.527 . . . . 0.0 111.595 -179.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -125.22 160.94 28.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.509 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -100.96 96.18 7.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.125 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.75 -82.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -140.73 -77.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 stop_ save_